Molecule

ID:46988

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂NO₂
Molecular Mass
292.20146
Exact Mass
291.07928421
Charge
0
InChI
InChI=1S/C13H18ClNO2.ClH/c1-16-11-4-5-13(12(14)7-11)17-9-10-3-2-6-15-8-10;/h4-5,7,10,15H,2-3,6,8-9H2,1H3;1H
InChIKey
IBCJQQVDUDATQZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)Cl)OCC1CCCNC1.Cl
Isomeric Smiles
c1(cc(ccc1OCC1CNCCC1)OC)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.81402355
LogD (pH = 7.4)
-0.15643607
Log P
2.4078636
Molar Refractivity
68.6648
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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