Basic information
- Standard SMILES
O=C(O)c1ccc(C(O)c2cccc(C=Cc3ccc4ccc(Cl)cc4n3)c2)s1- InChIKey
AVIYTUAUCUBBDU-UHFFFAOYSA-N- Molecular formula
- C23H16ClNO3S
- Average molar mass
- 421.9 g/mol
- Monoisotopic mass
- 421.0539422
Names & identifiers
- Preferred name
- 5-[[3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-hydroxymethyl]thiophene-2-carboxylic acid
- IUPAC
- 5-[[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-hydroxymethyl]thiophene-2-carboxylic acid
Names & synonyms
SCHEMBL9204041
Database identifiers
- PubChem CID
- 53664103
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 603
Related reactions
2 records
Compound notes
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