Molecule

ID:101554

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉Cl₂N₃O₂
Molecular Mass
286.11406
Exact Mass
285.0071819
Charge
0
InChI
InChI=1S/C11H9Cl2N3O2/c1-5-8(11(17)15-14)10(16-18-5)9-6(12)3-2-4-7(9)13/h2-4H,14H2,1H3,(H,15,17)
InChIKey
IVYIDBDPOPYCGE-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1c(C)onc1c1c(Cl)cccc1Cl
Isomeric Smiles
c1(c(c(on1)C)C(=O)NN)c1c(Cl)cccc1Cl
Calculated Properties
JChem
Acid pKa
13.27802
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.332166
LogD (pH = 7.4)
2.3326752
Log P
2.3326821
Molar Refractivity
70.586
Polarizability
27.133738
Polar Surface Area
81.15
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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