SMILES:
COc1cc(C=O)c(Cl)cc1OMolecular Processing
Molecular formula
C8H7ClO3
Molecular weight
186.59
Exact mass
186.0084
XLogP
1.87
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
45.06
Supplementary Information
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