Molecule

ID:54902

General Information
Structure
MolImage
Molecular Formula
C₈H₈Cl₂N₂
Molecular Mass
203.06852
Exact Mass
202.00645363
Charge
0
InChI
InChI=1S/C8H8Cl2N2/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3H,1,4H2,2H3
InChIKey
APGYFDQRXYNDHT-UHFFFAOYSA-N
Canonic Smiles
C=CCc1c(Cl)nc(nc1Cl)C
Isomeric Smiles
c1(nc(c(c(n1)Cl)CC=C)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3520982
LogD (pH = 7.4)
3.3520987
Log P
3.3520987
Molar Refractivity
53.3662
Polarizability
19.504982
Polar Surface Area
25.78
Rotatable Bonds
2
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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