Molecule

ID:135411

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃Cl₄N
Molecular Mass
240.98612
Exact Mass
238.98021014
Charge
0
InChI
InChI=1S/C6H12Cl3N.ClH/c7-1-4-10(5-2-8)6-3-9;/h1-6H2;1H
InChIKey
VEAUDLLZYJVHRI-UHFFFAOYSA-N
Canonic Smiles
ClCCN(CCCl)CCCl.Cl
Isomeric Smiles
C(CCl)N(CCCl)CCCl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.09992
LogD (pH = 7.4)
2.1824782
Log P
2.183639
Molar Refractivity
48.018
Polarizability
18.865767
Polar Surface Area
3.24
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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