Molecule

ID:10504

General Information
Structure
MolImage
Molecular Formula
C₅H₂Cl₂N₂O₂
Molecular Mass
192.98758
Exact Mass
191.94933267
Charge
0
InChI
InChI=1S/C5H2Cl2N2O2/c6-3-1-2(5(10)11)4(7)9-8-3/h1H,(H,10,11)
InChIKey
FRCXPDWDMAYSCE-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc(c(c1)C(=O)O)Cl
Isomeric Smiles
c1(nnc(c(c1)C(=O)O)Cl)Cl
Calculated Properties
JChem
Acid pKa
3.5401742
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.87118953
LogD (pH = 7.4)
-2.281164
Log P
1.08183
Molar Refractivity
42.7528
Polarizability
15.105126
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
No Data Available
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Molecule Details
References
Bioactivity
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