SMILES:
COc1c2c(Cl)cc(Cl)cc2nn1CC(C)(N)C#NMolecular Processing
Molecular formula
C12H12Cl2N4O
Molecular weight
299.16
Exact mass
298.0388
XLogP
2.59
TPSA
76.86
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
74.51
Supplementary Information
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