Molecule

ID:82264

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂N₄O
Molecular Mass
295.12412
Exact Mass
294.00751626
Charge
0
InChI
InChI=1S/C12H8Cl2N4O/c13-9-5-8(6-10(14)17-9)12(19)18-11(15)7-1-3-16-4-2-7/h1-6H,(H2,15,18,19)
InChIKey
XVUZLNMPGGQYBE-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)C(=O)NC(=N)c1ccncc1
Isomeric Smiles
N(C(=O)c1cc(nc(c1)Cl)Cl)C(=N)c1ccncc1
Calculated Properties
JChem
Acid pKa
9.972541
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8838788
LogD (pH = 7.4)
1.8912926
Log P
1.8924292
Molar Refractivity
85.2632
Polarizability
27.482023
Polar Surface Area
78.73
Rotatable Bonds
2
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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