Molecule

ID:105712

General Information
Structure
MolImage
Molecular Formula
C₇H₈O
Molecular Mass
108.13782
Exact Mass
108.05751488
Charge
0
InChI
InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
WVDDGKGOMKODPV-UHFFFAOYSA-N
Canonic Smiles
OCc1ccccc1
Isomeric Smiles
OCc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.21
LogD (pH = 5.5)
1.21
Log P
1.21
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
15.02
Polar Surface Area
20.23
Polarizability
11.89
Molar Refractivity
32.87
LOG S
-0.86
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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