Molecule

ID:21036

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₂NO
Molecular Mass
232.10644
Exact Mass
231.02176934
Charge
0
InChI
InChI=1S/C10H11Cl2NO/c11-7-1-2-9(12)10(5-7)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKey
OUXHUSFDHKWOIX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)OC1CNCC1)Cl
Isomeric Smiles
c1(cc(ccc1Cl)Cl)OC1CCNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6212825
LogD (pH = 7.4)
-0.095185
Log P
2.6074624
Molar Refractivity
57.4218
Polarizability
22.94889
Polar Surface Area
21.26
Rotatable Bonds
2
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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