Molecule

ID:67917

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h3-5H,1-2H3
InChIKey
VYPPZXZHYDSBSJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(nc1)C
Isomeric Smiles
C(=O)(c1ccc(nc1)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8766759
LogD (pH = 7.4)
0.89024454
Log P
0.8904205
Molar Refractivity
40.5179
Polarizability
15.625946
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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