SMILES:
CC1(c2ccc(Cl)cc2)OC(=O)C(OCc2ccccc2)=C1OMolecular Processing
Molecular formula
C18H15ClO4
Molecular weight
330.77
Exact mass
330.0659
XLogP
4.1
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
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
0.167
Molar refractivity
85.78
Supplementary Information
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