Molecule

ID:108067

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₀ClN
Molecular Mass
283.8798
Exact Mass
283.20667765
Charge
0
InChI
InChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1
InChIKey
GKQHIYSTBXDYNQ-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCC[n+]1ccccc1.[Cl-]
Isomeric Smiles
[Cl-].CCCCCCCCCCCC[n+]1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.6926534
LogD (pH = 7.4)
1.6926534
Log P
1.6926534
Molar Refractivity
80.7381
Polarizability
31.7729
Polar Surface Area
3.88
Rotatable Bonds
11
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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