Molecule

ID:90855

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₂
Molecular Mass
136.14792
Exact Mass
136.0524295
Charge
0
InChI
InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey
LPNBBFKOUUSUDB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)C
Isomeric Smiles
O=C(c1ccc(cc1)C)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.84
LogD (pH = 5.5)
0.89
Log P
2.14
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.26
Polar Surface Area
37.30
Polarizability
14.15
Molar Refractivity
38.36
LOG S
-1.99
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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