Molecule

ID:11601

General Information
Structure
Molecular Formula
C₁₁H₂₃ClN₂
Molecular Mass
218.76672
Exact Mass
218.15497643
Charge
0
InChI
InChI=1S/C11H22N2.ClH/c1-2-4-6-11(5-3-1)13-9-7-12-8-10-13;/h11-12H,1-10H2;1H
InChIKey
AGICGXYJQOVNRL-UHFFFAOYSA-N
Canonic Smiles
C1CCCC(CC1)N1CCNCC1.Cl
Isomeric Smiles
C1CCCC(CC1)N1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5620614
LogD (pH = 7.4)
-0.83674264
Log P
1.8980803
Molar Refractivity
56.3587
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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