Basic information
- Standard SMILES
C=C1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C- InChIKey
ZNDIUTIVPDDBNJ-AKHDSKFASA-N- Molecular formula
- C19H24O
- Average molar mass
- 268.4 g/mol
Names & identifiers
- Preferred name
- 17-Methylene-estra-1,3,5(10)-trien-3-ol
- IUPAC
- (8S,9S,13S,14S)-13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
Names & synonyms
CHEMBL162736517-methylene-estra-1,3,5(10)-trien-3-olSCHEMBL5525067ZNDIUTIVPDDBNJ-AKHDSKFASA-NBDBM5022827634111-53-017-methyleneestra-1,3,5(10)-trien-3-ol17-Methylenestra-1,3,5(10)-trien-3-ol3-Hydroxy-17-methylene-estra-1,3,5(10)-triene
Database identifiers
- PubChem CID
- 14458552
- ChEMBL
CHEMBL1627365
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 414
Related reactions
21 records
Compound notes
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