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721 hits found in 0.16 seconds.
Search terms: C12H17NO4S

Found by empirical formula

GridTileTableRecordChemReferEntrezPubChem

1

ID

Structure

Empirical Formula

Molecular Weight

Monoisotopic Mass, Da

LogP

ACD/LogD (pH 5.5)

ACD/LogD (pH 7.4)

InChI=1/C12H17NO4S/c1-4-13(12(14)17-5-2)18(15,16)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	2.35
XLogP:	2.10
ALOGPS:	1.46

2.35

2.35

InChI=1/C12H17NO4S/c1-4-17-12(14)9-13(3)18(15,16)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	2.77
XLogP:	1.70

2.77

2.77

InChI=1/C12H17NO4S/c1-8-6-9(2)12(18(16,17)5-4-14)7-11(8)13-10(3)15/h6-7,14H,4-5H2,1-3H3,(H,13,15)

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	-0.30
XLogP:	0.50

-0.3

-0.3

InChI=1/C12H17NO4S/c1-9(2)18(16,17)11-5-3-10(4-6-11)12(15)13-7-8-14/h3-6,9,14H,7-8H2,1-2H3,(H,13,15)

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	-0.02
XLogP:	0.90

InChI=1/C12H17NO4S/c1-15-8-17-9-3-4-11(16-5-6-18-2)10(7-9)12(13)14/h3-4,7H,5-6,8H2,1-2H3,(H2,13,14)

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	1.03
XLogP:	1.70

1.03

1.03

InChI=1/C12H17NO4S/c1-2-3-4-9-18(16,17)13-11-7-5-10(6-8-11)12(14)15/h5-8,13H,2-4,9H2,1H3,(H,14,15)

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	3.19
XLogP:	2.70

InChI=1/C12H17NO4S/c1-9(2)12(3,11(14)15)13-18(16,17)10-7-5-4-6-8-10/h4-9,13H,1-3H3,(H,14,15)

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	2.19
XLogP:	-0.60

InChI=1/C12H17NO4S/c1-3-12(4-2,11(14)15)13-18(16,17)10-8-6-5-7-9-10/h5-9,13H,3-4H2,1-2H3,(H,14,15)

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	2.37
XLogP:	-0.60

InChI=1/C12H17NO4S/c1-3-9-12(2,11(14)15)13-18(16,17)10-7-5-4-6-8-10/h4-8,13H,3,9H2,1-2H3,(H,14,15)

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	2.37
XLogP:	-0.30

InChI=1/C12H17NO4S/c14-18(15,16)17-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2,(H,14,15,16)

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	2.18
XLogP:	1.40

InChI=1/C12H17NO4S/c1-8(2)11(12(14)15)13-18(16,17)10-6-4-9(3)5-7-10/h4-8,11,13H,1-3H3,(H,14,15)

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	2.30
XLogP:	-0.30

InChI=1/C12H17NO4S/c1-6-7(2)11(3)9-8(6)12(11,4)18(15,16)13(9)10(14)17-5/h8-9H,1-5H3

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	0.82
XLogP:	0.20

InChI=1/C12H17NO4S/c1-2-8-18(16,17)13(10-12(14)15)9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,15)

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	2.55
XLogP:	1.50

InChI=1/C12H17NO4S/c1-4-17-11(14)12(2,3)18(15,16)13-10-8-6-5-7-9-10/h5-9,13H,4H2,1-3H3

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	2.61
XLogP:	2.00

InChI=1/C12H17NO4S/c1-12(2,3)17-11(15)8-18(16)13-9-6-4-5-7-10(9)14/h4-7,13-14H,8H2,1-3H3

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:

1.21

InChI=1/C12H17NO4S/c1-4-9(2)13-18(15,16)11-8-6-5-7-10(11)12(14)17-3/h5-9,13H,4H2,1-3H3

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	2.36
XLogP:	2.00

InChI=1/C12H17NO4S/c13-12(16)9-2-1-3-11(6-9)17-7-10(15)8-18-5-4-14/h1-3,6,10,14-15H,4-5,7-8H2,(H2,13,16)

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	-0.01
XLogP:	0.40

InChI=1/C12H17NO4S/c1-2-17-12(16)8-7-18-9(11(8)13)5-3-4-6-10(14)15/h7H,2-6,13H2,1H3,(H,14,15)

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	2.69
XLogP:	1.60

InChI=1/C12H17NO4S/c14-6-9-11(15)12(16)10(13-9)7-18(17)8-4-2-1-3-5-8/h1-5,9-16H,6-7H2/t9-,10+,11-,12-,18?/m1/s1

C₁₂H₁₇NO₄S

271.3327

271.087828

XLogP:

-1.30

InChI=1/C12H17NO4S/c1-17-11(15)9(13-10(14)7-2-3-7)6-18-12(16)8-4-5-8/h7-9H,2-6H2,1H3,(H,13,14)

C₁₂H₁₇NO₄S

271.3327

271.087828

ACD/LogP:	1.14
XLogP:	0.40

1.14

1.14

1

Royal Society of Chemistry