SMILES:
Cc1nn2cc[nH]c2c1-c1ccc(N)cc1.ClMolecular Processing
Molecular formula
C12H13ClN4
Molecular weight
248.72
Exact mass
248.0829
XLogP
2.64
TPSA
59.11
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.083
Molar refractivity
71.38
Supplementary Information
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