Molecule

ID:7810

General Information
Structure
MolImage
Molecular Formula
C₉H₈O₂
Molecular Mass
148.15862
Exact Mass
148.0524295
Charge
0
InChI
InChI=1S/C9H8O2/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-6H,1H3
InChIKey
JJXPTUWJVQUHKN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)cco2
Isomeric Smiles
c12c(occ2)ccc(c1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.974698
LogD (pH = 7.4)
1.974698
Log P
1.974698
Molar Refractivity
41.3623
Polarizability
17.235224
Polar Surface Area
22.37
Rotatable Bonds
1
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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