Molecule

ID:20730

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃Cl₂NO
Molecular Mass
352.29802
Exact Mass
351.11566972
Charge
0
InChI
InChI=1S/C19H22ClNO.ClH/c20-18-8-9-19(22-14-16-7-4-10-21-13-16)17(12-18)11-15-5-2-1-3-6-15;/h1-3,5-6,8-9,12,16,21H,4,7,10-11,13-14H2;1H
InChIKey
XPWCMWXTFSCRCE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cc1ccccc1)OCC1CCCNC1.Cl
Isomeric Smiles
c1(c(OCC2CNCCC2)ccc(c1)Cl)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4354417
LogD (pH = 7.4)
2.093029
Log P
4.657329
Molar Refractivity
91.9388
Polarizability
36.07706
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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