Molecule

ID:84480

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₂N₃O
Molecular Mass
282.12536
Exact Mass
281.01226728
Charge
0
InChI
InChI=1S/C12H9Cl2N3O/c13-10-6-8(7-11(14)15-10)12(18)17-16-9-4-2-1-3-5-9/h1-7,16H,(H,17,18)
InChIKey
SNOSJOAVOLOFAL-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)C(=O)NNc1ccccc1
Isomeric Smiles
n1c(cc(cc1Cl)C(=O)NNc1ccccc1)Cl
Calculated Properties
JChem
Acid pKa
12.566581
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.3568604
LogD (pH = 7.4)
3.3568578
Log P
3.3568604
Molar Refractivity
74.3923
Polarizability
26.926203
Polar Surface Area
54.02
Rotatable Bonds
3
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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