SMILES:
CC1CC(=O)c2c(n(O)c3ccc(Cl)cc3c2=O)C1Molecular Processing
Molecular formula
C14H12ClNO3
Molecular weight
277.71
Exact mass
277.0506
XLogP
2.66
TPSA
59.3
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
72.22
Supplementary Information
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