Molecule

ID:47177

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃Cl₄NO
Molecular Mass
317.03902
Exact Mass
314.97512476
Charge
0
InChI
InChI=1S/C11H12Cl3NO.ClH/c12-8-5-10(14)11(6-9(8)13)16-7-1-3-15-4-2-7;/h5-7,15H,1-4H2;1H
InChIKey
FNVHYFWGOROEGO-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(cc1OC1CCNCC1)Cl.Cl
Isomeric Smiles
c1(cc(c(cc1Cl)Cl)Cl)OC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.06406812
LogD (pH = 7.4)
0.9083873
Log P
3.2714667
Molar Refractivity
67.092
Polarizability
26.731424
Polar Surface Area
21.26
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