Molecule

ID:28354

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O
Molecular Mass
220.65496
Exact Mass
220.0403406
Charge
0
InChI
InChI=1S/C11H9ClN2O/c1-8(15)9-6-13-14(7-9)11-5-3-2-4-10(11)12/h2-7H,1H3
InChIKey
MHYWAOIBAMAHGO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1n1ncc(c1)C(=O)C
Isomeric Smiles
n1(ncc(c1)C(=O)C)c1c(Cl)cccc1
Calculated Properties
JChem
Acid pKa
15.195506
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2207487
LogD (pH = 7.4)
2.2207565
Log P
2.2207565
Molar Refractivity
59.6273
Polarizability
23.0236
Polar Surface Area
34.89
Rotatable Bonds
2
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