SMILES:
Clc1ccc(-n2ccnc2)nn1Molecular Processing
Molecular formula
C7H5ClN4
Molecular weight
180.6
Exact mass
180.0203
XLogP
1.32
TPSA
43.6
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
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
Molar refractivity
44.16
Supplementary Information
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