SMILES:
CON(C)C(=O)C(Cc1ccc(Cl)cc1)n1nnc2ccccc21Molecular Processing
Molecular formula
C17H17ClN4O2
Molecular weight
344.8
Exact mass
344.104
XLogP
2.89
TPSA
60.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
91.5
Supplementary Information
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