Molecule

ID:46207

General Information
Structure
Molecular Formula
C₁₄H₂₁Cl₂NO
Molecular Mass
290.22864
Exact Mass
289.10001966
Charge
0
InChI
InChI=1S/C14H20ClNO.ClH/c1-11-2-3-14(13(15)10-11)17-9-6-12-4-7-16-8-5-12;/h2-3,10,12,16H,4-9H2,1H3;1H
InChIKey
BMWRRXKOHVWOHG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Cl)OCCC1CCNCC1.Cl
Isomeric Smiles
c1(c(ccc(c1)C)OCCC1CCNCC1)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.17242874
LogD (pH = 7.4)
0.6288187
Log P
3.4040146
Molar Refractivity
72.0196
Polarizability
28.33831
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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