SMILES:
CC(C)Nc1nc(NC(C)(C)C#N)nc(Cl)c1C#NMolecular Processing
Molecular formula
C12H15ClN6
Molecular weight
278.75
Exact mass
278.1047
XLogP
2.54
TPSA
97.42
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
73.83
Supplementary Information
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