Molecule

ID:13282

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃ClN₂
Molecular Mass
218.76672
Exact Mass
218.15497643
Charge
0
InChI
InChI=1S/C11H22N2.ClH/c1-2-4-10-13(9-3-1)11-5-7-12-8-6-11;/h11-12H,1-10H2;1H
InChIKey
GWDGTEZHNXFQAH-UHFFFAOYSA-N
Canonic Smiles
C1CCCN(CC1)C1CCNCC1.Cl
Isomeric Smiles
N1(CCCCCC1)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.8890195
LogD (pH = 7.4)
-2.9510467
Log P
1.1288625
Molar Refractivity
56.8875
Polarizability
22.610828
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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