Molecule

ID:47411

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₂O₃
Molecular Mass
293.14646
Exact Mass
292.03814768
Charge
0
InChI
InChI=1S/C11H13ClN2O3.ClH/c12-10-6-8(14(15)16)3-4-11(10)17-9-2-1-5-13-7-9;/h3-4,6,9,13H,1-2,5,7H2;1H
InChIKey
YKHQORYRMODTNS-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ccc1OC1CCCNC1)[N+](=O)[O-].Cl
Isomeric Smiles
[N+](=O)(c1cc(c(OC2CNCCC2)cc1)Cl)[O-].Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.6921424
LogD (pH = 7.4)
0.49540052
Log P
2.4607646
Molar Refractivity
64.5863
Polarizability
24.82934
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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