Molecule

ID:84703

General Information
Structure
MolImage
Molecular Formula
C₉H₈O₃
Molecular Mass
164.15802
Exact Mass
164.04734412
Charge
0
InChI
InChI=1S/C9H8O3/c1-12-9-3-2-7(5-10)4-8(9)6-11/h2-6H,1H3
InChIKey
RYIGSDDWQGKRMF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(C=O)ccc1OC
Isomeric Smiles
O=Cc1c(ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2405792
LogD (pH = 7.4)
1.2405792
Log P
1.2405792
Molar Refractivity
45.6892
Polarizability
16.649967
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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