Molecule

ID:74618

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₂N₄
Molecular Mass
265.09814
Exact Mass
263.99695157
Charge
0
InChI
InChI=1S/C11H6Cl2N4/c12-8-2-1-7(9(13)3-8)6-17-11(5-15)10(16)4-14/h1-3,6H,16H2
InChIKey
URBKTPMIMOJNPL-UHFFFAOYSA-N
Canonic Smiles
N#C/C(=C(\C#N)/N)/N=C/c1ccc(cc1Cl)Cl
Isomeric Smiles
N(=C\c1ccc(cc1Cl)Cl)/C(=C(/C#N)\N)/C#N
Calculated Properties
JChem
Acid pKa
19.562723
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.8522702
LogD (pH = 7.4)
1.8522735
Log P
1.8522735
Molar Refractivity
69.102
Polarizability
24.656836
Polar Surface Area
85.96
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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