SMILES:
CC(=O)NC1CCCN2c3c(cc(F)c(C#N)c3Cl)Oc3cccc(F)c3C12Molecular Processing
Molecular formula
C20H16ClF2N3O2
Molecular weight
403.82
Exact mass
403.0899
XLogP
4.44
TPSA
65.36
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
99.52
Supplementary Information
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