Molecule

ID:113562

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₂N₄
Molecular Mass
265.09814
Exact Mass
263.99695157
Charge
0
InChI
InChI=1S/C11H6Cl2N4/c12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11/h1-6H
InChIKey
PVDCVYNCXXQMPX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)n1ncc2c1ncnc2Cl
Isomeric Smiles
n1(c2c(cn1)c(ncn2)Cl)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9463022
LogD (pH = 7.4)
2.9501116
Log P
2.9501605
Molar Refractivity
68.0352
Polarizability
26.279797
Polar Surface Area
43.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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