Molecule

ID:20762

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅Cl₂NO
Molecular Mass
260.1596
Exact Mass
259.05306947
Charge
0
InChI
InChI=1S/C12H15Cl2NO/c13-10-1-2-11(14)12(7-10)16-8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKey
HWNALSNAIOVPMS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1OCC1CCNCC1)Cl
Isomeric Smiles
c1(cc(ccc1Cl)Cl)OCC1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.10339803
LogD (pH = 7.4)
0.35737276
Log P
3.128023
Molar Refractivity
67.1052
Polarizability
26.61671
Polar Surface Area
21.26
Rotatable Bonds
3
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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