Basic information
- Standard SMILES
CS(=O)(=O)Oc1ccc(C(=N)N)cc1C(=O)c1ccccc1- InChIKey
MZINMLWWFPTBSR-UHFFFAOYSA-N- Molecular formula
- C15H14N2O4S
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.06742811
Names & identifiers
- Preferred name
- 4-Amidino-2-benzoylphenol methanesulfonate
- IUPAC
- (2-benzoyl-4-carbamimidoylphenyl) methanesulfonate
Names & synonyms
SCHEMBL7329847MZINMLWWFPTBSR-UHFFFAOYSA-N4-amidino-2-benzoylphenol methanesulfonate
Database identifiers
- PubChem CID
- 54099182
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 520
Related reactions
14 records
Compound notes
Loading…