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
- Name: Testosterone
- Preferred Abbreviation: Testosterone
- 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
- CAS: 58-22-0
- CID: 6013
- InChiKey: MUMGGOZAMZWBJJ-DYKIIFRCSA-N
- 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
- CanoSmiles: CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C
- IsoSmiles: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C
