Molecule

ID:86975

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₂
Molecular Mass
191.22642
Exact Mass
191.09462866
Charge
0
InChI
InChI=1S/C11H13NO2/c1-3-8-14-11-6-4-10(5-7-11)12-9(2)13/h3-7H,1,8H2,2H3,(H,12,13)
InChIKey
UVGQOPZEALYXKP-UHFFFAOYSA-N
Canonic Smiles
C=CCOc1ccc(cc1)NC(=O)C
Isomeric Smiles
N(c1ccc(cc1)OCC=C)C(=O)C
Calculated Properties
JChem
Acid pKa
14.965318
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7845347
LogD (pH = 7.4)
1.7845347
Log P
1.7845347
Molar Refractivity
56.5469
Polarizability
21.163326
Polar Surface Area
38.33
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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
Bioactivity
Navigation