SMILES:
N#CC=Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3[nH]cnc3Cl)c2F)c1Molecular Processing
Molecular formula
C20H12Cl3FN4O2
Molecular weight
465.7
Exact mass
464.001
XLogP
5.77
TPSA
90.8
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
30
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
0.05
Molar refractivity
112.35
Supplementary Information
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