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Testosterone | SBID = 5 | Compound |
Structure
Molecular Properties
Interactions: |
6
|
PubChem TPSA/Å2: |
37.3 |
Ertl TPSA/Å2: |
|
Hydrophilicity (PubChem XLogP): |
3.3 |
Hydrophilicity (Cheng XLogP3): |
|
Charge: |
0.0 |
Number of H-Bond Donors: |
1.0 |
Number of H-Bond Acceptors: |
2.0 |
Number of Stereogenic Bonds (E/Z): |
0.0 |
Number of Stereogenic Atoms (R/S): |
6.0 |
3D Volume/Å3: |
230.1 |
Sum Formula: |
C19H28O2 |
M / g/mol: |
288.431 |
Complexity: |
508.0 |
Number of Conformers: |
1.0 |
Identifiers
-
Tags:
steroid, typical guest, drug
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Name:
Testosterone
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Preferred Abbreviation:
Testosterone
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IUPAC Name:
(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
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CAS:
58-22-0
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CID:
6013
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InChiKey:
MUMGGOZAMZWBJJ-DYKIIFRCSA-N
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InChi:
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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CanoSmiles:
CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C
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IsoSmiles:
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C