SMILES:
CNc1nc(Cl)c(C#N)c(NC)n1Molecular Processing
Molecular formula
C7H8ClN5
Molecular weight
197.63
Exact mass
197.0468
XLogP
1.09
TPSA
73.63
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
50.85
Supplementary Information
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