Molecule

ID:81052

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇Cl₂N₃O₂
Molecular Mass
308.11958
Exact Mass
306.99153184
Charge
0
InChI
InChI=1S/C13H7Cl2N3O2/c14-9-5-3-6-10(15)12(9)20-13(19)8-4-1-2-7-11(8)17-18-16/h1-7H
InChIKey
SUILBKUZHJRXDR-UHFFFAOYSA-N
Canonic Smiles
[N-]=[N+]=Nc1ccccc1C(=O)Oc1c(Cl)cccc1Cl
Isomeric Smiles
O(c1c(cccc1Cl)Cl)C(=O)c1ccccc1N=[N+]=[N-]
Calculated Properties
JChem
Acid pKa
4.1974454
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.7653565
LogD (pH = 7.4)
6.7856584
Log P
5.1909256
Molar Refractivity
97.8308
Polarizability
28.59441
Polar Surface Area
63.68
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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