Molecule

ID:117036

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO
Molecular Mass
135.16316
Exact Mass
135.06841391
Charge
0
InChI
InChI=1S/C8H9NO/c1-10-7-9-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
InChIKey
UCLOWASJGSAGSD-VQHVLOKHSA-N
Canonic Smiles
CO/C=N/c1ccccc1
Isomeric Smiles
N(=C\OC)/c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.002522
LogD (pH = 7.4)
2.0025413
Log P
2.0025415
Molar Refractivity
41.9368
Polarizability
15.409934
Polar Surface Area
21.59
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
No Data Available
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Molecule Details
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References
Bioactivity
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