SMILES:
Cn1c(C#N)ccc1-c1ccc(NC#N)c(Cl)c1Molecular Processing
Molecular formula
C13H9ClN4
Molecular weight
256.7
Exact mass
256.0516
XLogP
3.11
TPSA
64.54
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
69.81
Supplementary Information
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