Molecule

ID:84403

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂N₂O
Molecular Mass
205.04134
Exact Mass
203.98571818
Charge
0
InChI
InChI=1S/C7H6Cl2N2O/c1-10-7(12)4-2-5(8)11-6(9)3-4/h2-3H,1H3,(H,10,12)
InChIKey
AZLJPQVNQHOLEM-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)C(=O)NC)Cl
Calculated Properties
JChem
Acid pKa
13.361147
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4783334
LogD (pH = 7.4)
1.478333
Log P
1.4783335
Molar Refractivity
49.6084
Polarizability
18.110373
Polar Surface Area
41.99
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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