Molecule

ID:70029

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₂
Molecular Mass
124.13722
Exact Mass
124.0524295
Charge
0
InChI
InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2
InChIKey
CQRYARSYNCAZFO-UHFFFAOYSA-N
Canonic Smiles
OCc1ccccc1O
Isomeric Smiles
C(c1c(cccc1)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.90
LogD (pH = 5.5)
0.90
Log P
0.90
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.92
Polar Surface Area
40.46
Polarizability
12.73
Molar Refractivity
34.85
LOG S
-0.48
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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