Molecule

ID:74106

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c1-6-3-2-4-7(5-9)8-6/h2-4,9H,5H2,1H3
InChIKey
JLVBSBMJQUMAMW-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(n1)C
Isomeric Smiles
n1c(cccc1C)CO
Calculated Properties
JChem
Acid pKa
14.25467
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.054981064
LogD (pH = 7.4)
0.19665349
Log P
0.20106567
Molar Refractivity
34.7863
Polarizability
13.647779
Polar Surface Area
33.12
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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