Molecule
ID:40259
General Information
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c1-8(14)11-7-13(9(2)15)12-6-4-3-5-10(11)12/h3-7H,1-2H3
InChIKey
STUZJORZRZCLRI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cn(c2c1cccc2)C(=O)C
Isomeric Smiles
n1(cc(c2c1cccc2)C(=O)C)C(=O)C
Calculated Properties
JChem
Acid pKa
15.451342
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.94946444
LogD (pH = 7.4)
0.94946444
Log P
0.94946444
Molar Refractivity
56.8176
Polarizability
23.022116
Polar Surface Area
39.07
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...