Molecule

ID:90528

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₂
Molecular Mass
136.14792
Exact Mass
136.0524295
Charge
0
InChI
InChI=1S/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3
InChIKey
GBKGJMYPQZODMI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)/C=C/c1ccco1
Isomeric Smiles
o1cccc1/C=C/C(=O)C
Calculated Properties
JChem
Acid pKa
19.606255
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5259584
LogD (pH = 7.4)
1.5259584
Log P
1.5259584
Molar Refractivity
39.0019
Polarizability
14.464697
Polar Surface Area
30.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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