SMILES:
Cc1cc(=O)oc2c(C=CCCl)c(O)ccc12Molecular Processing
Molecular formula
C13H11ClO3
Molecular weight
250.68
Exact mass
250.0397
XLogP
3.06
TPSA
50.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
68.64
Supplementary Information
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