Molecule

ID:82197

General Information
Structure
MolImage
Molecular Formula
C₈H₈O
Molecular Mass
120.14852
Exact Mass
120.05751488
Charge
0
InChI
InChI=1S/C8H8O/c1-2-4-8-6-9-5-7(8)3-1/h1-4H,5-6H2
InChIKey
SFLGSKRGOWRGBR-UHFFFAOYSA-N
Canonic Smiles
O1Cc2c(C1)cccc2
Isomeric Smiles
O1Cc2ccccc2C1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6002499
LogD (pH = 7.4)
1.6002499
Log P
1.6002499
Molar Refractivity
36.1797
Polarizability
13.970074
Polar Surface Area
9.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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