Name: 2-(3-(aminomethyl)phenyl)-3-fluoro-5-(4-phenoxyphenyl)isonicotinonitrile bis-HCl salt
SMILES:
Cl.Cl.N#Cc1c(-c2ccc(Oc3ccccc3)cc2)cnc(-c2cccc(CN)c2)c1FMolecular Processing
Molecular formula
C25H20Cl2FN3O
Molecular weight
468.36
Exact mass
467.0967
XLogP
6.52
TPSA
71.93
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
3
Fraction Csp3
0.04
Molar refractivity
128.69
Supplementary Information
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