Structure Info
- Chemspace ID
- CSSS00116209497 (In-Stock Screening Compounds)
- CAS
- 1618-52-6, 1028092-65-0
- MFCD
- MFCD22054848
- IUPAC Name
- 2-[1-carboxy-N-(2,3-dimethylphenyl)formamido]benzoic acid
- Mol formula
- C17H15NO5
- Mol weight
- 313 Da
- Catalog Number(s)
- AA87820, AGN-PC-0MUBK1, AR001WM0, BD708386, CSC116209497, EN300-6488552, JH165286, Y3266349, Z3216207825, ZXC268018
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.38
- Heavy atoms count
- 23
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.117
- Polar surface area (Å)
- 95
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSSS00116209497
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