Molecule
ID:41070
General Information
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-5-7(6(2)10)3-4-8(11)9-5/h3-4H,1-2H3,(H,9,11)
InChIKey
JTLWXFRVOPSNEH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(=O)[nH]c1C
Isomeric Smiles
c1(c([nH]c(=O)cc1)C)C(=O)C
Calculated Properties
JChem
Acid pKa
10.989017
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.016387243
LogD (pH = 7.4)
-0.016485106
Log P
-0.016385995
Molar Refractivity
43.4147
Polarizability
15.547897
Polar Surface Area
46.17
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...