Molecule

ID:11599

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇ClN₂
Molecular Mass
164.67628
Exact Mass
164.10802623
Charge
0
InChI
InChI=1S/C7H16N2.ClH/c1-7(2)9-5-3-8-4-6-9;/h7-8H,3-6H2,1-2H3;1H
InChIKey
IIXYZCAKGHHSFJ-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCNCC1)C.Cl
Isomeric Smiles
N1(C(C)C)CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1597106
LogD (pH = 7.4)
-1.9110181
Log P
0.42762408
Molar Refractivity
39.9109
Polarizability
15.965017
Polar Surface Area
15.27
Rotatable Bonds
1
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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