Structure Info
- Chemspace ID
- CSMB00033324452 (Enamine MADE)
- MFCD
- MFCD13425255
- IUPAC Name
- (3-methylphenyl)methyl 4-amino-3-methylbenzoate
- Mol formula
- C16H17NO2
- Mol weight
- 255 Da
- Catalog Number(s)
- BBV-32691019, CSC033324452, s_1458_25959914_481260, s_1458____25959914____481260
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.9
- Heavy atoms count
- 19
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.187
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00033324452
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