Molecule

ID:24320

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO₂
Molecular Mass
217.69254
Exact Mass
217.08695644
Charge
0
InChI
InChI=1S/C10H15NO2.ClH/c1-3-13-10-8(7-11)5-4-6-9(10)12-2;/h4-6H,3,7,11H2,1-2H3;1H
InChIKey
PWWDEXCWUMZHPX-UHFFFAOYSA-N
Canonic Smiles
CCOc1c(CN)cccc1OC.Cl
Isomeric Smiles
c1(c(CN)cccc1OC)OCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7378739
LogD (pH = 7.4)
-0.3614213
Log P
1.1404797
Molar Refractivity
52.2064
Polarizability
20.569174
Polar Surface Area
44.48
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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