SMILES:
Cc1cc2c(NC3CCC3)nc(Cl)nc2[nH]1Molecular Processing
Molecular formula
C11H13ClN4
Molecular weight
236.71
Exact mass
236.0829
XLogP
2.88
TPSA
53.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
64.9
Supplementary Information
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