Molecule

ID:15884

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄Cl₂N₂
Molecular Mass
209.11616
Exact Mass
208.05340382
Charge
0
InChI
InChI=1S/C8H13ClN2.ClH/c9-3-6-11-4-1-8(7-10)2-5-11;/h8H,1-6H2;1H
InChIKey
DDMSKIKYADWREH-UHFFFAOYSA-N
Canonic Smiles
ClCCN1CCC(CC1)C#N.Cl
Isomeric Smiles
C1(CCN(CC1)CCCl)C#N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.76730704
LogD (pH = 7.4)
0.7520505
Log P
0.98571885
Molar Refractivity
46.6926
Polarizability
17.93426
Polar Surface Area
27.03
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
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Molecule Details
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References
Bioactivity
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