Molecule

ID:90280

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₂
Molecular Mass
136.14792
Exact Mass
136.0524295
Charge
0
InChI
InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2
InChIKey
IPRPPFIAVHPVJH-UHFFFAOYSA-N
Canonic Smiles
O=CCc1ccc(cc1)O
Isomeric Smiles
Oc1ccc(cc1)CC=O
Calculated Properties
JChem
LogD (pH = 7.4)
1.15
LogD (pH = 5.5)
1.15
Log P
1.15
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.50
Polar Surface Area
37.30
Polarizability
13.88
Molar Refractivity
38.42
LOG S
-0.46
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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