Basic information
- CAS
866322-84-1- Standard SMILES
c1ccc(Oc2ccc3[nH]c4c(c3c2)CNCC4)cc1- InChIKey
NBQLTEFESAVRMX-UHFFFAOYSA-N- Molecular formula
- C17H16N2O
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.12626314
Names & identifiers
- Preferred name
- 1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-phenoxy-
- IUPAC
- 8-phenoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Names & synonyms
1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-phenoxy-866322-84-18-phenoxy-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indoleSCHEMBL4886130DTXSID40469511SY523664
Database identifiers
- CAS
866322-84-1- PubChem CID
- 11615924
- DTXSID
DTXSID40469511
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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