Molecule

ID:109198

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
InChIKey
UOLHRLVWZSCASU-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc[n+]1[O-]
Isomeric Smiles
CCc1cccc[n+]1[O-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.73505604
LogD (pH = 7.4)
0.73508674
Log P
0.73508716
Molar Refractivity
37.2328
Polarizability
13.492849
Polar Surface Area
25.46
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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