ChemSpider | CSID:20581259

Names and Identifiers

Data supplied by datasources and users.

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Anabolic steroid

Lusuceutical

Index_of_Refraction	1.583+/-0.03
Molecular_Formula	C_{21}H_{28}O_{2}
Molar_Refractivity	91.78+/-0.4 cm^{3}
InChI	InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18?,19?,20-,21-/m0/s1
Dielectric_Constant	Cannot calculate
Average_Mass	312.4458 Da
LogP_FreelyRotatableBonds	3
Nominal_Mass	312 Da
Molar_Volume	274.5+/-5.0 cm^{3}
InChIKey	InChIKey=OXHNQTSIKGHVBH-JSRAGOMMBO
LogP_HAcceptors	2
Molecular_Weight	312.4458
SMILES	O=C/4CCC=3\C(\CCC2C=3\C=C/[C@@]1(CC)C2CC[C@@]1(O)CC)=C\4
Surface_Tension	46.1+/-5.0 dyne/cm
ACD_LogP	3.873+/-0.371
Polarizability	36.38+/-0.5 10^{-24}cm^{3}
ACD_BP_1	505.7+/-50.0
ACD_EnthalpyOfVaporization	89.29+/-6.0
Monoisotopic_Mass	312.20893 Da
LogP_RuleOf5	0
LogP_PSA	37.30
Density	1.13+/-0.1 g/cm^{3}
LogP_HDonors	1
Parachor	715.6+/-6.0 cm^{3}
ACD_FP	214.2+/-22.7

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library