Molecule

ID:11635

General Information
Structure
Molecular Formula
C₁₁H₂₃ClN₂
Molecular Mass
218.76672
Exact Mass
218.15497643
Charge
0
InChI
InChI=1S/C11H22N2.ClH/c1-10-3-2-8-13(9-10)11-4-6-12-7-5-11;/h10-12H,2-9H2,1H3;1H
InChIKey
GEJPJAVUIOTAGD-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)C1CCNCC1.Cl
Isomeric Smiles
N1(CC(CCC1)C)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.932688
LogD (pH = 7.4)
-2.94131
Log P
1.0492666
Molar Refractivity
56.7581
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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