Molecule

ID:92345

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
InChIKey
LIDGFHXPUOJZMK-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1c(C)cccc1C
Isomeric Smiles
[n+]1(c(cccc1C)C)[O-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.13845332
LogD (pH = 7.4)
-0.13836876
Log P
-0.13836768
Molar Refractivity
36.8954
Polarizability
13.418068
Polar Surface Area
26.94
Rotatable Bonds
0
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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