Molecule

ID:46385

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Cl₂NO
Molecular Mass
290.22864
Exact Mass
289.10001966
Charge
0
InChI
InChI=1S/C14H20ClNO.ClH/c15-13-5-3-4-12(10-13)11-17-9-7-14-6-1-2-8-16-14;/h3-5,10,14,16H,1-2,6-9,11H2;1H
InChIKey
QSQXHUVVOQYSJX-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)COCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOCc2cc(Cl)ccc2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.17280802
LogD (pH = 7.4)
0.28414172
Log P
3.0587568
Molar Refractivity
71.8319
Polarizability
28.405844
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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