Molecule

ID:40217

General Information
Structure
MolImage
Molecular Formula
C₅H₂Cl₂N₄
Molecular Mass
189.00218
Exact Mass
187.96565144
Charge
0
InChI
InChI=1S/C5H2Cl2N4/c6-3-1-2-4-8-9-5(7)11(4)10-3/h1-2H
InChIKey
YHVQNULRPMZYEO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(n1)c(Cl)nn2
Isomeric Smiles
n12c(nnc1ccc(n2)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4307554
LogD (pH = 7.4)
1.4307572
Log P
1.4307572
Molar Refractivity
54.8818
Polarizability
15.640951
Polar Surface Area
43.08
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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