Nombre: 4-methylbenzenesulfonic acid 4-(4-acetylaminophenyl)butyl ester
SMILES:
CC(=O)Nc1ccc(CCCCOS(=O)(=O)c2ccc(C)cc2)cc1Molecular Processing
Molecular formula
C19H23NO4S
Molecular weight
361.46
Exact mass
361.1348
XLogP
3.68
TPSA
72.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
98
Supplementary Information
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