Molecule

ID:64002

General Information
Structure
Molecular Formula
C₈H₁₆Cl₃N
Molecular Mass
232.57834
Exact Mass
231.03483256
Charge
0
InChI
InChI=1S/C8H15Cl2N.ClH/c9-3-5-11(6-4-10)7-8-1-2-8;/h8H,1-7H2;1H
InChIKey
HKZRQMCXQOSNTH-UHFFFAOYSA-N
Canonic Smiles
ClCCN(CC1CC1)CCCl.Cl
Isomeric Smiles
ClCCN(CCCl)CC1CC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.98499453
LogD (pH = 7.4)
2.2032378
Log P
2.2997265
Molar Refractivity
50.6167
Polarizability
19.921305
Polar Surface Area
3.24
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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