Molecule

ID:45682

General Information
Structure
Molecular Formula
C₆H₉Cl₄NO₂
Molecular Mass
268.95316
Exact Mass
266.93873925
Charge
0
InChI
InChI=1S/C6H8Cl3NO2.ClH/c7-6(8,9)5(11)12-4-1-2-10-3-4;/h4,10H,1-3H2;1H
InChIKey
CWHYPGMYDIDRJX-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)(Cl)Cl)OC1CNCC1.Cl
Isomeric Smiles
C(C(=O)OC1CCNC1)(Cl)(Cl)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9646809
LogD (pH = 7.4)
-1.332974
Log P
1.2587352
Molar Refractivity
48.2184
Polarizability
19.149862
Polar Surface Area
38.33
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