Molecule

ID:51439

General Information
Structure
MolImage
Molecular Formula
C₅H₂Cl₂N₂O₂
Molecular Mass
192.98758
Exact Mass
191.94933267
Charge
0
InChI
InChI=1S/C5H2Cl2N2O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)
InChIKey
IVIHUCXXDVVSBH-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)Cl)C(=O)O
Isomeric Smiles
c1(nc(c(cn1)C(=O)O)Cl)Cl
Calculated Properties
JChem
Acid pKa
3.7150412
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.3441855
LogD (pH = 7.4)
-1.8592608
Log P
1.4400905
Molar Refractivity
41.3432
Polarizability
15.139561
Polar Surface Area
63.08
Rotatable Bonds
1
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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