Basic information
- CAS
117019-86-0- Standard SMILES
CO[C@H]1c2ccccc2-c2cc3c(ccc4ccccc43)nc2[C@@H]1O- InChIKey
QNUNQPAXPNGPMT-VXKWHMMOSA-N- Molecular formula
- C22H17NO2
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.12592879
Names & identifiers
- Preferred name
- Dibenz(a,j)acridin-6-ol, 5,6-dihydro-5-methoxy-, (5S-trans)-
- IUPAC
- (10S,11S)-10-methoxy-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,15,17,19,21-decaen-11-ol
Names & synonyms
117019-86-0Dibenz(a,j)acridin-6-ol, 5,6-dihydro-5-methoxy-, (5S-trans)-(5s,6s)-5-methoxy-5,6-dihydrodibenzo[a,j]acridin-6-olDTXSID40151681
Database identifiers
- CAS
117019-86-0- PubChem CID
- 189463
- DTXSID
DTXSID40151681
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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