Molecule

ID:89740

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₂
Molecular Mass
136.14792
Exact Mass
136.0524295
Charge
0
InChI
InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
IPBVNPXQWQGGJP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccccc1
Isomeric Smiles
O=C(C)Oc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.58
LogD (pH = 5.5)
1.58
Log P
1.58
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.14
Polar Surface Area
26.30
Polarizability
14.12
Molar Refractivity
37.19
LOG S
-1.70
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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