SMILES:
CC1CC(=O)c2c(Cl)c(Cl)cc3c(=O)c(C(=O)O)cn1c23Molecular Processing
Molecular formula
C14H9Cl2NO4
Molecular weight
326.13
Exact mass
324.9909
XLogP
3.15
TPSA
76.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
78.85
Supplementary Information
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