Nom: methyl 3-(3-cyclohexenyl)-4-acetylamino-5-chlorosalicylate
SMILES:
COC(=O)c1cc(Cl)c(NC(C)=O)c(C2CC=CCC2)c1OMolecular Processing
Molecular formula
C16H18ClNO4
Molecular weight
323.78
Exact mass
323.0924
XLogP
3.61
TPSA
75.63
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
84.49
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→