Molecule

ID:46384

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Cl₂NO
Molecular Mass
290.22864
Exact Mass
289.10001966
Charge
0
InChI
InChI=1S/C14H20ClNO.ClH/c15-14-5-1-3-13(9-14)11-17-8-6-12-4-2-7-16-10-12;/h1,3,5,9,12,16H,2,4,6-8,10-11H2;1H
InChIKey
LMWUBCVOCXTDQH-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)COCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOCc2cc(Cl)ccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.23232755
LogD (pH = 7.4)
0.14371534
Log P
3.0019948
Molar Refractivity
72.0053
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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