Molecule

ID:27201

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀Cl₂N₂O₂
Molecular Mass
249.0939
Exact Mass
248.01193293
Charge
0
InChI
InChI=1S/C9H10Cl2N2O2/c1-5(9(14)13-12)15-8-4-6(10)2-3-7(8)11/h2-5H,12H2,1H3,(H,13,14)
InChIKey
YRVAGHBSQVDABX-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)NN)Oc1cc(Cl)ccc1Cl
Isomeric Smiles
C(=O)(C(Oc1cc(ccc1Cl)Cl)C)NN
Calculated Properties
JChem
Acid pKa
10.644899
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.9655883
LogD (pH = 7.4)
1.966752
Log P
1.9669931
Molar Refractivity
59.0156
Polarizability
23.027582
Polar Surface Area
64.35
Rotatable Bonds
3
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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