Molecule

ID:69447

General Information
Structure
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Molecular Formula
C₁₃H₂₂ClN
Molecular Mass
227.77348
Exact Mass
227.14407739
Charge
0
InChI
InChI=1S/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
InChIKey
HTZCNXWZYVXIMZ-UHFFFAOYSA-M
Canonic Smiles
CC[N+](Cc1ccccc1)(CC)CC.[Cl-]
Isomeric Smiles
[N+](CC)(CC)(CC)Cc1ccccc1.[Cl-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-1.1772702
LogD (pH = 7.4)
-1.1772702
Log P
-1.1772702
Molar Refractivity
74.7601
Polarizability
24.744455
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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