Molecule

ID:44747

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO₂
Molecular Mass
139.15186
Exact Mass
139.06332853
Charge
0
InChI
InChI=1S/C7H9NO2/c1-10-7-4-6(5-9)2-3-8-7/h2-4,9H,5H2,1H3
InChIKey
YENBVKZRNXXJSF-UHFFFAOYSA-N
Canonic Smiles
COc1nccc(c1)CO
Isomeric Smiles
n1c(cc(CO)cc1)OC
Calculated Properties
JChem
Acid pKa
14.724695
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.4241065
LogD (pH = 7.4)
0.4249985
Log P
0.42500988
Molar Refractivity
37.4937
Polarizability
14.416097
Polar Surface Area
42.35
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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