SMILES:
O=C1C=C(O)CC(c2ccc(Cl)cc2)O1Molecular Processing
Molecular formula
C11H9ClO3
Molecular weight
224.64
Exact mass
224.024
XLogP
2.77
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
55.61
Supplementary Information
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