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Basic information
- Standard SMILES
O=C1CC(c2ccccc2Cl)Cc2nncc(C(F)(F)F)c21- InChIKey
XBRDJRBITOBMGE-UHFFFAOYSA-N- Molecular formula
- C15H10ClF3N2O
- Average molar mass
- 326.7 g/mol
Names & identifiers
- Preferred name
- 7-(2-Chlorophenyl)-4-trifluoromethyl-5,6,7,8-tetrahydrocinnolin-5-one
- IUPAC
- 7-(2-chlorophenyl)-4-(trifluoromethyl)-7,8-dihydro-6H-cinnolin-5-one
Names & synonyms
7-(2-chlorophenyl)-4-trifluoromethyl-5,6,7,8-tetrahydrocinnolin-5-oneSCHEMBL7690036
Database identifiers
- PubChem CID
- 18317606
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 432
Related reactions
2 records
Compound notes
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