Name: 4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]isophthalamic acid
SMILES:
O=C(O)c1ccc(Cc2ccccc2)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Molecular Processing
Molecular formula
C23H15F6NO3
Molecular weight
467.37
Exact mass
467.0956
XLogP
6.27
TPSA
66.4
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
107.05
Supplementary Information
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