Molecule

ID:75279

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈Cl₂N₂
Molecular Mass
227.08992
Exact Mass
226.00645363
Charge
0
InChI
InChI=1S/C10H8Cl2N2/c1-5-6(2)14-10-4-8(12)7(11)3-9(10)13-5/h3-4H,1-2H3
InChIKey
XUIDIVNOOAVBBF-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2nc(C)c(nc2cc1Cl)C
Isomeric Smiles
n1c(c(nc2cc(c(cc12)Cl)Cl)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.769899
LogD (pH = 7.4)
2.769908
Log P
2.769908
Molar Refractivity
56.243
Polarizability
23.344227
Polar Surface Area
25.78
Rotatable Bonds
0
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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