Molecule

ID:73942

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO
Molecular Mass
147.17386
Exact Mass
147.06841391
Charge
0
InChI
InChI=1S/C9H9NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-8,11H
InChIKey
RUQDOYIAKHIMAN-UHFFFAOYSA-N
Canonic Smiles
O/N=C/C=C/c1ccccc1
Isomeric Smiles
N(=C\C=C\c1ccccc1)/O
Calculated Properties
JChem
Acid pKa
11.177219
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9845306
LogD (pH = 7.4)
1.9868459
Log P
1.9869498
Molar Refractivity
45.9562
Polarizability
17.11523
Polar Surface Area
32.59
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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