Molecule

ID:71596

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅Cl₂N
Molecular Mass
184.1067
Exact Mass
183.05815485
Charge
0
InChI
InChI=1S/C7H14ClN.ClH/c1-2-9-4-3-7(5-8)6-9;/h7H,2-6H2,1H3;1H
InChIKey
XRRZNNNNKRHXHI-UHFFFAOYSA-N
Canonic Smiles
ClCC1CCN(C1)CC.Cl
Isomeric Smiles
N1(CC(CC1)CCl)CC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.057053
LogD (pH = 7.4)
-0.6460718
Log P
1.2772176
Molar Refractivity
41.6302
Polarizability
16.235369
Polar Surface Area
3.24
Rotatable Bonds
2
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
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References
Bioactivity
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