Molecule

ID:46989

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂NO₂
Molecular Mass
292.20146
Exact Mass
291.07928421
Charge
0
InChI
InChI=1S/C13H18ClNO2.ClH/c1-16-11-2-3-13(12(14)8-11)17-9-10-4-6-15-7-5-10;/h2-3,8,10,15H,4-7,9H2,1H3;1H
InChIKey
ODHDCCHVKIYZKH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)Cl)OCC1CCNCC1.Cl
Isomeric Smiles
c1(cc(ccc1OCC1CCNCC1)OC)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.865114
LogD (pH = 7.4)
-0.4043432
Log P
2.3663068
Molar Refractivity
68.7636
Polarizability
27.259537
Polar Surface Area
30.49
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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