Molecule

ID:135150

General Information
Structure
MolImage
Molecular Formula
C₈H₈O
Molecular Mass
128.0897587
Exact Mass
128.08435358
Charge
0
InChI
InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1
InChIKey
KWOLFJPFCHCOCG-LLXNCONNSA-N
Canonic Smiles
[13CH3][13C](=O)[13c]1[13cH][13cH][13cH][13cH][13cH]1
Isomeric Smiles
[13CH3][13C](=O)[13c]1[13cH][13cH][13cH][13cH][13cH]1
Calculated Properties
JChem
Acid pKa
16.099924
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5308933
LogD (pH = 7.4)
1.5308933
Log P
1.5308933
Molar Refractivity
36.4608
Polarizability
14.072966
Polar Surface Area
17.07
Rotatable Bonds
1
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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