SMILES:
Cc1ccc(C)n1N(C)c1ccc(Cl)nn1Molecular Processing
Molecular formula
C11H13ClN4
Molecular weight
236.71
Exact mass
236.0829
XLogP
2.45
TPSA
33.95
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
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
64.75
Supplementary Information
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