Molecule

ID:46952

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂NO
Molecular Mass
276.20206
Exact Mass
275.08436959
Charge
0
InChI
InChI=1S/C13H18ClNO.ClH/c1-9-7-10(2)13(12(14)8-9)16-11-3-5-15-6-4-11;/h7-8,11,15H,3-6H2,1-2H3;1H
InChIKey
CHMRCMLEQCSTJZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)Cl)OC1CCNCC1.Cl
Isomeric Smiles
c1(c(cc(cc1C)C)Cl)OC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.11717844
LogD (pH = 7.4)
0.72714084
Log P
3.0902202
Molar Refractivity
67.5648
Polarizability
26.419811
Polar Surface Area
21.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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