Name: 4-(1-methylpiperidin-4-ylmethyl)-3-trifluoromethylbenzoic acid
SMILES:
CN1CCC(Cc2ccc(C(=O)O)cc2C(F)(F)F)CC1Molecular Processing
Molecular formula
C15H18F3NO2
Molecular weight
301.31
Exact mass
301.129
XLogP
3.29
TPSA
40.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
72.33
Supplementary Information
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