Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCC12CCC3C4CCC(=O)C=C4CCC3C1CC[C@]2(O)C#CCl- InChIKey
MISOWVVRHHLGIK-KQMXEUTGSA-N- Molecular formula
- C21H27ClO2
- Average molar mass
- 346.9 g/mol
- Monoisotopic mass
- 346.1699578
Names & identifiers
- Preferred name
- (17R)-17-(2-chloroethynyl)-13-ethyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
- IUPAC
- (17R)-17-(2-chloroethynyl)-13-ethyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Database identifiers
- PubChem CID
- 17013
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 653
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…