Molecule

ID:68796

General Information
Structure
MolImage
Molecular Formula
C₈H₈O
Molecular Mass
120.14852
Exact Mass
120.05751488
Charge
0
InChI
InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2
InChIKey
HBEDSQVIWPRPAY-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)OCC2
Isomeric Smiles
O1c2c(CC1)cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
1.86
LogD (pH = 5.5)
1.86
Log P
1.86
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.84
Polar Surface Area
9.23
Polarizability
13.06
Molar Refractivity
35.83
LOG S
-1.68
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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