Molecule

ID:13165

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃ClN₂
Molecular Mass
218.76672
Exact Mass
218.15497643
Charge
0
InChI
InChI=1S/C11H22N2.ClH/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;/h10-12H,2-9H2,1H3;1H
InChIKey
VCTBGKMKUPTDDI-UHFFFAOYSA-N
Canonic Smiles
CC1CCC(CC1)N1CCNCC1.Cl
Isomeric Smiles
C1N(CCNC1)C1CCC(CC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6853089
LogD (pH = 7.4)
-0.80619675
Log P
1.7405307
Molar Refractivity
56.3063
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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