Nom: 3-(butyl(methyl)carbamoyl)benzoic acid
SMILES:
CCCCN(C)C(=O)c1cccc(C(=O)O)c1Molecular Processing
Molecular formula
C13H17NO3
Molecular weight
235.28
Exact mass
235.1208
XLogP
2.26
TPSA
57.61
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
65.27
Supplementary Information
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