Molecule

ID:84493

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂N₄O
Molecular Mass
295.12412
Exact Mass
294.00751626
Charge
0
InChI
InChI=1S/C12H8Cl2N4O/c13-10-4-8(5-11(14)17-10)6-16-18-12(19)9-2-1-3-15-7-9/h1-7H,(H,18,19)
InChIKey
YOXCSWBPOHPIFY-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(/C=N/NC(=O)c2cccnc2)cc(n1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)/C=N/NC(=O)c1cccnc1)Cl
Calculated Properties
JChem
Acid pKa
9.665318
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.1722302
LogD (pH = 7.4)
2.1740975
Log P
2.1762335
Molar Refractivity
75.6539
Polarizability
27.481243
Polar Surface Area
67.24
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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