Molecule

ID:80241

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₇ClN₂
Molecular Mass
399.09638
Exact Mass
398.34277719
Charge
0
InChI
InChI=1S/C24H47N2.ClH/c1-4-6-8-10-12-14-16-18-20-25-22-23-26(24(25)3)21-19-17-15-13-11-9-7-5-2;/h22-23H,4-21H2,1-3H3;1H/q+1;/p-1
InChIKey
GJYWPRKIEORZLX-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCn1cc[n+](c1C)CCCCCCCCCC.[Cl-]
Isomeric Smiles
[n+]1(c(n(CCCCCCCCCC)cc1)C)CCCCCCCCCC.[Cl-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.151907
LogD (pH = 7.4)
4.151907
Log P
4.151907
Molar Refractivity
127.0183
Polarizability
45.897766
Polar Surface Area
8.81
Rotatable Bonds
18
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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