SMILES:
ClCn1cncn1Molecular Processing
Molecular formula
C3H4ClN3
Molecular weight
117.54
Exact mass
117.0094
XLogP
0.47
TPSA
30.71
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
7
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
0.333
Molar refractivity
25.87
Supplementary Information
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