Molecule

ID:39572

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇ClN₂
Molecular Mass
164.67628
Exact Mass
164.10802623
Charge
0
InChI
InChI=1S/C7H16N2.ClH/c1-9-4-2-7(6-8)3-5-9;/h7H,2-6,8H2,1H3;1H
InChIKey
XEFFFJHYAWLMRI-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(CC1)C.Cl
Isomeric Smiles
NCC1CCN(CC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-6.5555763
LogD (pH = 7.4)
-4.8843756
Log P
-0.13805199
Molar Refractivity
40.1879
Polarizability
15.965017
Polar Surface Area
29.26
Rotatable Bonds
1
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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