SMILES:
COc1ccc2nc(Cl)c(C#N)c(-c3cccc(F)c3)c2c1Molecular Processing
Molecular formula
C17H10ClFN2O
Molecular weight
312.73
Exact mass
312.0466
XLogP
4.57
TPSA
45.91
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
83.41
Supplementary Information
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