Structure Info
- Chemspace ID
- CSMB00020619122 (Enamine MADE)
- CAS
- 53882-12-5
- MFCD
- MFCD00864803
- IUPAC Name
- {[3-(carboxyformamido)-2-chloro-5-cyanophenyl]carbamoyl}formic acid
- Mol formula
- C11H6ClN3O6
- Mol weight
- 312 Da
- Catalog Number(s)
- 23994, 123360, 53882-12-5, A019127913, A370864, AA003ABT, AB53253, ACDS-036831, ACM53882125, AG003AEL, AJ53253, AP53882125, AR003B3L, AS-76953, BD136628, CSC020619122, DCA88212, EN300-18563278, FL180660, HY-14270, L469365, LN01287245, M18760, SAB-061883, T4566, W18254, W18254-0.25G, Y1239824, Y228322
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.83
- Heavy atoms count
- 21
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0
- Polar surface area (Å)
- 157
- Hydrogen bond acceptors count
- 7
- Hydrogen bond donors count
- 4
- Zoom the structure
- CSMB00020619122
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