Molecule

ID:47065

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₂N₂O₃
Molecular Mass
279.11988
Exact Mass
278.02249761
Charge
0
InChI
InChI=1S/C10H11ClN2O3.ClH/c11-7-1-2-10(9(5-7)13(14)15)16-8-3-4-12-6-8;/h1-2,5,8,12H,3-4,6H2;1H
InChIKey
DLBKXADVRKBMOQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)[N+](=O)[O-])OC1CNCC1.Cl
Isomeric Smiles
c1([N+](=O)[O-])c(OC2CCNC2)ccc(c1)Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2832364
LogD (pH = 7.4)
-0.7120996
Log P
1.9434018
Molar Refractivity
59.9417
Polarizability
22.981583
Polar Surface Area
67.08
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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