Molecule

ID:114359

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₂N₄
Molecular Mass
265.09814
Exact Mass
263.99695157
Charge
0
InChI
InChI=1S/C11H6Cl2N4/c12-8-3-1-2-7(6-8)11-15-14-10-5-4-9(13)16-17(10)11/h1-6H
InChIKey
HTMOOQOFTFENMK-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)c1nnc2n1nc(Cl)cc2
Isomeric Smiles
n12c(nnc1ccc(n2)Cl)c1cc(Cl)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1455295
LogD (pH = 7.4)
3.1455574
Log P
3.1455576
Molar Refractivity
89.7623
Polarizability
25.625256
Polar Surface Area
43.08
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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