Molecule

ID:67949

General Information
Structure
MolImage
Molecular Formula
C₅H₄Cl₂N₂O
Molecular Mass
179.00406
Exact Mass
177.97006812
Charge
0
InChI
InChI=1S/C5H4Cl2N2O/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3
InChIKey
WDELVDLDINRUQF-UHFFFAOYSA-N
Canonic Smiles
COc1nc(Cl)cc(n1)Cl
Isomeric Smiles
c1(nc(cc(n1)Cl)Cl)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2192938
LogD (pH = 7.4)
2.2192938
Log P
2.2192938
Molar Refractivity
40.8637
Polarizability
15.1178875
Polar Surface Area
35.01
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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