Molecule

ID:20760

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅Cl₂NO
Molecular Mass
260.1596
Exact Mass
259.05306947
Charge
0
InChI
InChI=1S/C12H15Cl2NO/c13-10-2-1-3-11(12(10)14)16-8-9-4-6-15-7-5-9/h1-3,9,15H,4-8H2
InChIKey
MAKAFXVPERMJRT-UHFFFAOYSA-N
Canonic Smiles
Clc1c(OCC2CCNCC2)cccc1Cl
Isomeric Smiles
c1(c(OCC2CCNCC2)cccc1Cl)Cl
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
26.64884
Polar Surface Area
21.26
Rotatable Bonds
3
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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