Basic information
- Standard SMILES
O=C(O)c1ccccc1C(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21- InChIKey
NIEUKVCTXHKPFI-UHFFFAOYSA-N- Molecular formula
- C21H14ClNO4
- Average molar mass
- 379.8 g/mol
Names & identifiers
- Preferred name
- 2-[(8-chlorodibenz[b,f][1,4]oxazepin-10(11H)-yl)carbonyl]benzoic acid
- IUPAC
- 2-(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)benzoic acid
Names & synonyms
SCHEMBL9174371NIEUKVCTXHKPFI-UHFFFAOYSA-N2-[(8-chlorodibenz[b,f][1,4]oxazepin-10(11H)-yl)carbonyl]benzoic acid
Database identifiers
- PubChem CID
- 15780657
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 570
Related reactions
2 records
Compound notes
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