Molecule

ID:47180

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₄NO
Molecular Mass
303.01244
Exact Mass
300.9594747
Charge
0
InChI
InChI=1S/C10H10Cl3NO.ClH/c11-7-3-9(13)10(4-8(7)12)15-6-1-2-14-5-6;/h3-4,6,14H,1-2,5H2;1H
InChIKey
KFGHNXDMEJYMMI-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(cc1OC1CNCC1)Cl.Cl
Isomeric Smiles
c1(cc(c(cc1Cl)Cl)Cl)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.017174548
LogD (pH = 7.4)
0.5103496
Log P
3.211507
Molar Refractivity
62.2266
Polarizability
24.905264
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