이름: 1-Methyl-5-[4′-(trifluoromethyl)[1,1′-biphenyl]-2-carboxamido]-1H-indole-2-carboxylic acid sodium salt
SMILES:
Cn1c(C(=O)[O-])cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc21.[Na+]Molecular Processing
Molecular formula
C24H16F3N2NaO3
Molecular weight
460.39
Exact mass
460.1011
XLogP
1.48
TPSA
74.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.083
Molar refractivity
112.08
Supplementary Information
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