SMILES:
Cc1c(Cl)nnc(Cc2ccncc2)c1CMolecular Processing
Molecular formula
C12H12ClN3
Molecular weight
233.7
Exact mass
233.072
XLogP
2.73
TPSA
38.67
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
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
0.25
Molar refractivity
63.56
Supplementary Information
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