Molecule

ID:60451

General Information
Structure
Molecular Formula
C₈H₇Cl₂N₃O₂
Molecular Mass
248.06608
Exact Mass
246.99153184
Charge
0
InChI
InChI=1S/C8H7Cl2N3O2/c9-4-1-2-5(10)6(3-4)12-7(14)8(15)13-11/h1-3H,11H2,(H,12,14)(H,13,15)
InChIKey
IRBBIOBIZFUEJV-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(=O)Nc1cc(Cl)ccc1Cl
Isomeric Smiles
C(=O)(C(=O)Nc1cc(ccc1Cl)Cl)NN
Calculated Properties
JChem
Acid pKa
8.30482
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.274375
LogD (pH = 7.4)
1.2303437
Log P
1.2752213
Molar Refractivity
58.6318
Polarizability
21.770147
Polar Surface Area
84.22
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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