SMILES:
Nc1ccc(Cl)nn1Molecular Processing
Molecular formula
C4H4ClN3
Molecular weight
129.55
Exact mass
129.0094
XLogP
0.71
TPSA
51.8
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
31.45
Supplementary Information
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