Molecule

ID:75267

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₂N₂O₂
Molecular Mass
231.03556
Exact Mass
229.96498274
Charge
0
InChI
InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)
InChIKey
AVBSIKMUAFYZAV-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2nc(O)c(nc2cc1Cl)O
Isomeric Smiles
n1c(c(nc2cc(c(cc12)Cl)Cl)O)O
Calculated Properties
JChem
Acid pKa
11.077329
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.088951
LogD (pH = 7.4)
3.0888622
Log P
3.088952
Molar Refractivity
51.6488
Polarizability
21.1221
Polar Surface Area
66.24
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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