Structure Info
- Chemspace ID
- CSSS00012941811 (In-Stock Screening Compounds)
- CAS
- 879542-89-9
- MFCD
- MFCD24125738
- IUPAC Name
- 3-chloro-5-(2-oxopyrrolidin-1-yl)benzoic acid
- Mol formula
- C11H10ClNO3
- Mol weight
- 240 Da
- Catalog Number(s)
- BB4LS-EN300-1041882, BBV-44728113, BL74671, CSC012941811, EN300-1041882, FCH15350953, PB1462275544, Y3267964, Z1462198076
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.56
- Heavy atoms count
- 16
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.272
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00012941811
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