Molecule

ID:34949

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇Cl₂N
Molecular Mass
198.13328
Exact Mass
197.07380491
Charge
0
InChI
InChI=1S/C8H16ClN.ClH/c1-10-7-3-2-4-8(10)5-6-9;/h8H,2-7H2,1H3;1H
InChIKey
WVBKLELBSWJXAT-UHFFFAOYSA-N
Canonic Smiles
ClCCC1CCCCN1C.Cl
Isomeric Smiles
C1CCC(N(C1)C)CCCl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.4685559
LogD (pH = 7.4)
0.014389697
Log P
1.8247522
Molar Refractivity
46.009
Polarizability
18.075779
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
References
Bioactivity
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