SMILES:
Nc1nc(Cl)nc(NC2CC2)n1Molecular Processing
Molecular formula
C6H8ClN5
Molecular weight
185.62
Exact mass
185.0468
XLogP
0.68
TPSA
76.72
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
45.89
Supplementary Information
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