Molecule

ID:59217

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈Cl₂N₂
Molecular Mass
227.08992
Exact Mass
226.00645363
Charge
0
InChI
InChI=1S/C10H8Cl2N2/c1-6-2-3-8-7(4-6)10(12)14-9(5-11)13-8/h2-4H,5H2,1H3
InChIKey
CTGWKVLYJSVSDC-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc(Cl)c2c(n1)ccc(c2)C
Isomeric Smiles
c1(ccc2c(c1)c(nc(n2)CCl)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8772793
LogD (pH = 7.4)
3.8772812
Log P
3.8772812
Molar Refractivity
59.0854
Polarizability
23.409517
Polar Surface Area
25.78
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
No Data Available
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Molecule Details
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References
Bioactivity
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