Molecule

ID:16012

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,9H,3-4H2
InChIKey
DBPZCGJRCAALLW-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)OCCO2
Isomeric Smiles
O1CCOc2c1ccc(c2)O
Calculated Properties
JChem
Acid pKa
9.909058
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1827962
LogD (pH = 7.4)
1.1814778
Log P
1.182813
Molar Refractivity
38.9963
Polarizability
15.261928
Polar Surface Area
38.69
Rotatable Bonds
0
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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