SMILES:
Clc1ncccc1-c1ccncn1Molecular Processing
Molecular formula
C9H6ClN3
Molecular weight
191.62
Exact mass
191.025
XLogP
2.19
TPSA
38.67
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
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
50.27
Supplementary Information
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