Molecule

ID:45069

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂N₂O₂
Molecular Mass
257.07284
Exact Mass
255.9806328
Charge
0
InChI
InChI=1S/C10H6Cl2N2O2/c1-16-10(15)5-2-3-6-7(4-5)14-9(12)8(11)13-6/h2-4H,1H3
InChIKey
ZLWYANCDEVPWLW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)nc(c(n2)Cl)Cl
Isomeric Smiles
n1c(c(nc2c1cc(C(=O)OC)cc2)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.950999
LogD (pH = 7.4)
2.950999
Log P
2.950999
Molar Refractivity
61.2079
Polarizability
24.449343
Polar Surface Area
52.08
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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