이름: 3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoic acid
SMILES:
CN1CCN(c2cc(C(=O)O)cc(C(F)(F)F)c2)CC1Molecular Processing
Molecular formula
C13H15F3N2O2
Molecular weight
288.27
Exact mass
288.1086
XLogP
2.16
TPSA
43.78
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
68.11
Supplementary Information
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