Molecule

ID:134804

General Information
Structure
MolImage
Molecular Formula
C₂₁H₄₀ClNO
Molecular Mass
358.0014
Exact Mass
357.27984259
Charge
0
InChI
InChI=1S/C21H38N.ClH.H2O/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;1H2/q+1;;/p-1
InChIKey
NFCRBQADEGXVDL-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCCCCCC[n+]1ccccc1.O.[Cl-]
Isomeric Smiles
c1cc[n+](cc1)CCCCCCCCCCCCCCCC.O.[Cl-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.470928
LogD (pH = 7.4)
3.470928
Log P
3.470928
Molar Refractivity
99.1421
Polarizability
39.19877
Polar Surface Area
3.88
Rotatable Bonds
15
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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