Molecule

ID:90795

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₃
Molecular Mass
188.17942
Exact Mass
188.04734412
Charge
0
InChI
InChI=1S/C11H8O3/c12-7-10-6-11(8-13-10)14-9-4-2-1-3-5-9/h1-8H
InChIKey
DDQUEXYWZTWDSY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1occ(c1)Oc1ccccc1
Isomeric Smiles
o1cc(Oc2ccccc2)cc1C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.246282
LogD (pH = 7.4)
2.246282
Log P
2.246282
Molar Refractivity
51.2737
Polarizability
19.426453
Polar Surface Area
39.44
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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