SMILES:
CC1CCc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2C1.ClMolecular Processing
Molecular formula
C17H17Cl2N3O
Molecular weight
350.25
Exact mass
349.0749
XLogP
3.87
TPSA
50.68
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
1
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.294
Molar refractivity
94.25
Supplementary Information
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