Molecule

ID:88152

General Information
Structure
MolImage
Molecular Formula
C₅H₂Cl₂N₂O₂
Molecular Mass
192.98758
Exact Mass
191.94933267
Charge
0
InChI
InChI=1S/C5H2Cl2N2O2/c6-2-1-8-3(5(10)11)4(7)9-2/h1H,(H,10,11)
InChIKey
QRFOSHOPPFYNAH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ncc(nc1Cl)Cl
Isomeric Smiles
n1c(c(nc(c1)Cl)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1374912
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.106134
LogD (pH = 7.4)
-2.2260497
Log P
1.2297779
Molar Refractivity
40.3606
Polarizability
15.107356
Polar Surface Area
63.08
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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