Molecule

ID:107184

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₄ClN
Molecular Mass
311.93296
Exact Mass
311.23797777
Charge
0
InChI
InChI=1S/C19H33N.ClH/c1-4-7-12-17-13-10-11-14-18(17)19(20,15-8-5-2)16-9-6-3;/h10-11,13-14H,4-9,12,15-16,20H2,1-3H3;1H
InChIKey
XTMLGPMYHYTHRR-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccccc1C(CCCC)(CCCC)[NH3+].[Cl-]
Isomeric Smiles
[Cl-].CCCCc1ccccc1C([NH3+])(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.4466193
LogD (pH = 7.4)
3.9689832
Log P
6.466613
Molar Refractivity
101.1774
Polarizability
35.743465
Polar Surface Area
27.64
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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