Molecule

ID:125460

General Information
Structure
MolImage
Molecular Formula
C₈H₈O
Molecular Mass
120.14852
Exact Mass
120.05751488
Charge
0
InChI
InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
InChIKey
FUGYGGDSWSUORM-UHFFFAOYSA-N
Canonic Smiles
C=Cc1ccc(cc1)O
Isomeric Smiles
C=Cc1ccc(cc1)O
Calculated Properties
JChem
LogD (pH = 7.4)
2.40
LogD (pH = 5.5)
2.41
Log P
2.41
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.56
Polar Surface Area
20.23
Polarizability
13.15
Molar Refractivity
37.73
LOG S
-2.02
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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