Found 1 result

Search term: JLVVAYSKHQLKES-NCELDCMTSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | {3-Chloro-4-[(3-{3-hydroxy-4-[(1E)-N-hydroxypropanimidoyl]-2-propylphenoxy}propyl)sulfanyl]phenyl}acetic acid | C23H28ClNO5S

{3-Chloro-4-[(3-{3-hydroxy-4-[(1E)-N-hydroxypropanimidoyl]-2-propylphenoxy}propyl)sulfanyl]phenyl}acetic acid

  • Molecular FormulaC23H28ClNO5S
  • Average mass465.990 Da
  • Monoisotopic mass465.137665 Da
  • ChemSpider ID16343641

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{3-Chlor-4-[(3-{3-hydroxy-4-[(1E)-N-hydroxypropanimidoyl]-2-propylphenoxy}propyl)sulfanyl]phenyl}essigsäure [German] [ACD/IUPAC Name]
{3-Chloro-4-[(3-{3-hydroxy-4-[(1E)-N-hydroxypropanimidoyl]-2-propylphenoxy}propyl)sulfanyl]phenyl}acetic acid [ACD/IUPAC Name]
Acide {3-chloro-4-[(3-{3-hydroxy-4-[(1E)-N-hydroxypropanimidoyl]-2-propylphénoxy}propyl)sulfanyl]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-chloro-4-[[3-[3-hydroxy-4-[(1E)-1-(hydroxyimino)propyl]-2-propylphenoxy]propyl]thio]- [ACD/Index Name]
{3-Chloro-4-[3-(3-hydroxy-4-{1-[(E)-hydroxyimino]-propyl}-2-propyl-phenoxy)-propylsulfanyl]-phenyl}-acetic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 658.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.9±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 123.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 1636.59
ACD/KOC (pH 5.5): 2719.28
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 28.71
ACD/KOC (pH 7.4): 47.71
Polar Surface Area: 125 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 368.0±7.0 cm3

Click to predict properties on the Chemicalize site


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