Molecule

ID:82721

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey
GUCPYIYFQVTFSI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)N
Isomeric Smiles
O=C(c1ccc(cc1)OC)N
Calculated Properties
JChem
Acid pKa
14.626149
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.666214
LogD (pH = 7.4)
0.6662149
Log P
0.6662148
Molar Refractivity
41.5996
Polarizability
15.684683
Polar Surface Area
52.32
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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