Basic information
- Standard SMILES
C[C@]12CC(I)C(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
ZWCCXZMYQSMHAJ-XHGSHIMLSA-N- Molecular formula
- C19H25IO2
- Average molar mass
- 412.3 g/mol
Names & identifiers
- Preferred name
- 2-Iodo-androst-4-ene-3,17-dione
- IUPAC
- (8R,9S,10R,13S,14S)-2-iodo-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Names & synonyms
SCHEMBL9127394ZWCCXZMYQSMHAJ-XHGSHIMLSA-N2-iodo-androst-4-ene-3,17-dione
Database identifiers
- PubChem CID
- 54569272
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 580
Related reactions
2 records
Compound notes
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