Name: 5-chloro-3-[ethyl(1-methylpiperidin-4-yl)amino]-2-methylbenzoic acid
SMILES:
CCN(c1cc(Cl)cc(C(=O)O)c1C)C1CCN(C)CC1Molecular Processing
Molecular formula
C16H23ClN2O2
Molecular weight
310.83
Exact mass
310.1448
XLogP
3.27
TPSA
43.78
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
86.69
Supplementary Information
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