Molecule

ID:2776

General Information
Structure
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey
VKPLPDIMEREJJF-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(=O)N
Isomeric Smiles
COc1cccc(c1)C(=O)N
Calculated Properties
JChem
Acid pKa
14.15607
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6662144
LogD (pH = 7.4)
0.6662149
Log P
0.6662148
Molar Refractivity
41.5996
Polarizability
15.685295
Polar Surface Area
52.32
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.64
LOG S
-1.52
Solubility (Water)
4.58e+00 g/l
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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