SMILES:
CCC1CCc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2C1Molecular Processing
Molecular formula
C18H18ClN3O
Molecular weight
327.82
Exact mass
327.1138
XLogP
3.83
TPSA
50.68
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
1
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
91.62
Supplementary Information
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