Molecule

ID:76850

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO
Molecular Mass
135.16316
Exact Mass
135.06841391
Charge
0
InChI
InChI=1S/C8H9NO/c1-6-4-3-5-8(9-6)7(2)10/h3-5H,1-2H3
InChIKey
FPQMUQPPAYCAME-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)C(=O)C
Isomeric Smiles
n1c(cccc1C(=O)C)C
Calculated Properties
JChem
Acid pKa
15.036112
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8264067
LogD (pH = 7.4)
0.83039033
Log P
0.8304414
Molar Refractivity
38.5234
Polarizability
14.933082
Polar Surface Area
29.96
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
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References
Bioactivity
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