SMILES:
Nc1cccc(Nc2cc(Cl)ncn2)n1Molecular Processing
Molecular formula
C9H8ClN5
Molecular weight
221.65
Exact mass
221.0468
XLogP
1.85
TPSA
76.72
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
58.97
Supplementary Information
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