Molecule

ID:20803

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆Cl₂N₂O
Molecular Mass
263.16354
Exact Mass
262.0639685
Charge
0
InChI
InChI=1S/C11H15ClN2O.ClH/c12-11-10(2-1-5-14-11)15-8-9-3-6-13-7-4-9;/h1-2,5,9,13H,3-4,6-8H2;1H
InChIKey
OLZIFSPIZRREMI-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1OCC1CCNCC1.Cl
Isomeric Smiles
c1(ncccc1OCC1CCNCC1)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7049551
LogD (pH = 7.4)
-1.2441673
Log P
1.5264829
Molar Refractivity
61.2048
Polarizability
23.90788
Polar Surface Area
34.15
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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