Molecule

ID:33228

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Cl₂N₂O₃
Molecular Mass
339.17338
Exact Mass
338.02249761
Charge
0
InChI
InChI=1S/C15H12Cl2N2O3/c1-10(20)18(9-11-5-6-12(16)7-15(11)17)13-3-2-4-14(8-13)19(21)22/h2-8H,9H2,1H3
InChIKey
KZNKWZJZUDWQLY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)CN(c1cccc(c1)[N+](=O)[O-])C(=O)C
Isomeric Smiles
c1(cc(c(cc1)CN(c1cc(ccc1)[N+](=O)[O-])C(=O)C)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.947569
LogD (pH = 7.4)
3.947569
Log P
3.947569
Molar Refractivity
85.5838
Polarizability
32.321686
Polar Surface Area
66.13
Rotatable Bonds
4
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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