Basic information
- CAS
14846-62-9- Standard SMILES
COc1ccc2c(c1[N+](=O)[O-])CCC1C2CCC2(C)C(=O)CCC12- InChIKey
QDFCXLJPTBSDPF-UHFFFAOYSA-N- Molecular formula
- C19H23NO4
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.16270821
Names & identifiers
- Preferred name
- 3-methoxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
- IUPAC
- 3-methoxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Names & synonyms
3-methoxy-4-nitroestra-1,3,5(10)-trien-17-oneSCHEMBL130309833-methoxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-onePD027995{Estra-1,3,5[10]-trien-17-one,} 3-methoxy-4-nitro-4-(Hydroxy(oxido)amino)-3-methoxyestra-1,3,5(10)-trien-17-one
Database identifiers
- CAS
14846-62-9- PubChem CID
- 494232
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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