Molecule

ID:92807

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₈ClN
Molecular Mass
339.98612
Exact Mass
339.2692779
Charge
0
InChI
InChI=1S/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1
InChIKey
YMKDRGPMQRFJGP-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]
Isomeric Smiles
[n+]1(ccccc1)CCCCCCCCCCCCCCCC.[Cl-]
Calculated Properties
JChem
LogD (pH = 7.4)
3.47
LogD (pH = 5.5)
3.47
Log P
3.47
Rotatable Bonds
15
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
3.88
Polarizability
42.21
Molar Refractivity
99.14
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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