SMILES:
CC(C)c1n[nH]c2c(Cl)nc(Cl)nc12Molecular Processing
Molecular formula
C8H8Cl2N4
Molecular weight
231.09
Exact mass
230.0126
XLogP
2.78
TPSA
54.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
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
0.375
Molar refractivity
55.79
Supplementary Information
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