Molecule

ID:26129

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈O₄
Molecular Mass
216.18952
Exact Mass
216.04225874
Charge
0
InChI
InChI=1S/C12H8O4/c13-8-9-3-5-10(6-4-9)16-12(14)11-2-1-7-15-11/h1-8H
InChIKey
ALUHEYPQVPMFBV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OC(=O)c1ccco1
Isomeric Smiles
C(=O)(c1occc1)Oc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4074302
LogD (pH = 7.4)
2.4074302
Log P
2.4074302
Molar Refractivity
56.8358
Polarizability
21.281244
Polar Surface Area
56.51
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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