CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)O)cc2C(F)(F)F)CC1
Name: 4-[4-(t-butoxycarbonyl)piperazin-1-ylmethyl]-3-trifluoromethylbenzoic acid
SMILES: CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)O)cc2C(F)(F)F)CC1

Molecular Processing

Molecular formula
C18H23F3N2O4
Molecular weight
388.39
Exact mass
388.161
XLogP
3.46
TPSA
70.08
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
91.49

Supplementary Information

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