Molecule

ID:32461

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-6(10)7-3-8(11-2)5-9-4-7/h3-5H,1-2H3
InChIKey
NCDNULVIERIXPT-UHFFFAOYSA-N
Canonic Smiles
COc1cncc(c1)C(=O)C
Isomeric Smiles
c1(cncc(c1)C(=O)C)OC
Calculated Properties
JChem
Acid pKa
15.414621
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.1518533
LogD (pH = 7.4)
0.15550286
Log P
0.15554965
Molar Refractivity
40.7671
Polarizability
15.69346
Polar Surface Area
39.19
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
References
Bioactivity
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