Molecule

ID:7893

General Information
Structure
MolImage
Molecular Formula
C₈H₈O
Molecular Mass
120.14852
Exact Mass
120.05751488
Charge
0
InChI
InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
InChIKey
BTFQKIATRPGRBS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1C
Isomeric Smiles
c1ccc(c(c1)C=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.20
LogD (pH = 5.5)
2.20
Log P
2.20
Rotatable Bonds
1
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.12
Polar Surface Area
17.07
Polarizability
13.02
Molar Refractivity
37.68
LOG S
-1.80
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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