Basic information
- Standard SMILES
O=C(CCCl)N1c2ccccc2-c2ccccc2-c2ccccc21- InChIKey
ZAAMNWPSICIZEY-UHFFFAOYSA-N- Molecular formula
- C21H16ClNO
- Average molar mass
- 333.8 g/mol
- Monoisotopic mass
- 333.0920418
Names & identifiers
- Preferred name
- 3-chloro-1-(9H-tribenz[b,d,f]azepine-9-yl)propan-1-one
- IUPAC
- 1-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-3-chloropropan-1-one
Names & synonyms
SCHEMBL7805771ZAAMNWPSICIZEY-UHFFFAOYSA-N3-chloro-1-(9H-tribenz[b,d,f]azepine-9-yl)propan-1-one
Database identifiers
- PubChem CID
- 18917169
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 421
Related reactions
3 records
Compound notes
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