C1CN(CCN1CCF)CC2=C(C=C(C=C2)C(=O)O)C(F)(F)F
이름: 4-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)benzoic acid
SMILES: C1CN(CCN1CCF)CC2=C(C=C(C=C2)C(=O)O)C(F)(F)F

Molecular Processing

Molecular formula
C15H18F4N2O2
Molecular weight
334.31
Exact mass
334.1304
XLogP
2.49
TPSA
43.78
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
76.1

Supplementary Information

InChIKey: WSKIHTNDNYYZDV-UHFFFAOYSA-N
동의어
4-[4-(2-fluoroethyl)piperazin-1-ylmethyl]-3-trifluoromethylbenzoic acidSCHEMBL3560742
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