Molecule

ID:134919

General Information
Structure
MolImage
Molecular Formula
C₇H₈O
Molecular Mass
108.13782
Exact Mass
108.05751488
Charge
0
InChI
InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey
IWDCLRJOBJJRNH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)O
Isomeric Smiles
c1cc(ccc1C)O
Calculated Properties
JChem
Acid pKa
10.357335
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.183096
LogD (pH = 7.4)
2.1826255
Log P
2.183102
Molar Refractivity
33.0801
Polarizability
12.804016
Polar Surface Area
20.23
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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