Basic information
- CAS
71007-82-4- Standard SMILES
COc1cc2c(cc1O)C(=O)c1[nH]c3ccccc3c1CC2- InChIKey
JJZVRHFLJKLZGI-UHFFFAOYSA-N- Molecular formula
- C18H15NO3
- Average molar mass
- 293.3 g/mol
- Monoisotopic mass
- 293.10519334
Names & identifiers
- Preferred name
- 8-Hydroxy-9-methoxy-11,12-dihydrobenzo[5,6]cyclohepta[1,2-b]indol-6(5H)-one
- IUPAC
- 5-hydroxy-6-methoxy-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaen-2-one
Names & synonyms
NSC27127271007-82-48-Hydroxy-9-methoxy-11,12-dihydrobenzo[5,6]cyclohepta[1,2-b]indol-6(5H)-oneSCHEMBL2683139DTXSID90313515NSC-271272
Database identifiers
- CAS
71007-82-4- PubChem CID
- 321302
- DTXSID
DTXSID90313515
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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