Name: title compound
SMILES:
O=c1[nH]c(-c2c(F)cccc2Cl)nn1-c1ccc(C#Cc2ccc(F)nc2)cc1Molecular Processing
Molecular formula
C21H11ClF2N4O
Molecular weight
408.8
Exact mass
408.0589
XLogP
3.95
TPSA
63.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
104.76
Supplementary Information
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