Molecule

ID:27465

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₂
Molecular Mass
191.22642
Exact Mass
191.09462866
Charge
0
InChI
InChI=1S/C11H13NO2/c1-3-11(14)12-10-6-4-5-9(7-10)8(2)13/h4-7H,3H2,1-2H3,(H,12,14)
InChIKey
WPKYWZVHSQINPX-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)Nc1cccc(c1)C(=O)C
Isomeric Smiles
c1(C(=O)C)cc(NC(=O)CC)ccc1
Calculated Properties
JChem
Acid pKa
13.89126
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4691396
LogD (pH = 7.4)
1.4691395
Log P
1.4691396
Molar Refractivity
55.9507
Polarizability
20.781666
Polar Surface Area
46.17
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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