Molecule

ID:64651

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂N₃O₂
Molecular Mass
246.0502
Exact Mass
244.97588178
Charge
0
InChI
InChI=1S/C8H5Cl2N3O2/c1-15-8(14)4-3-11-13-6(10)2-5(9)12-7(4)13/h2-3H,1H3
InChIKey
LCMDZGZZFUIKJQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnn2c1nc(Cl)cc2Cl
Isomeric Smiles
c12n(c(cc(n2)Cl)Cl)ncc1C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7997254
LogD (pH = 7.4)
1.7997267
Log P
1.7997267
Molar Refractivity
66.4709
Polarizability
20.917284
Polar Surface Area
56.49
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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