Molecule

ID:20728

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₇Cl₂NO
Molecular Mass
344.31908
Exact Mass
343.14696985
Charge
0
InChI
InChI=1S/C18H26ClNO.ClH/c19-16-8-9-18(21-13-14-5-4-10-20-12-14)17(11-16)15-6-2-1-3-7-15;/h8-9,11,14-15,20H,1-7,10,12-13H2;1H
InChIKey
JZTISQJPPBOJLS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C1CCCCC1)OCC1CCCNC1.Cl
Isomeric Smiles
c1(c(OCC2CNCCC2)ccc(c1)Cl)C1CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4586369
LogD (pH = 7.4)
2.1162243
Log P
4.6805243
Molar Refractivity
88.3932
Polarizability
34.951763
Polar Surface Area
21.26
Rotatable Bonds
4
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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