Molecule

ID:11215

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N₅O₂
Molecular Mass
245.23734
Exact Mass
245.09127462
Charge
0
InChI
InChI=1S/C11H11N5O2/c12-16-11(18)9-8(13-6-14-9)10(17)15-7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14)(H,15,17)(H,16,18)
InChIKey
OPVSAFKUPCRXIQ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1nc[nH]c1C(=O)Nc1ccccc1
Isomeric Smiles
c1(nc[nH]c1C(=O)Nc1ccccc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
5.919583
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-0.3171229
LogD (pH = 7.4)
-1.077316
Log P
-0.19332334
Molar Refractivity
67.6143
Polarizability
24.081944
Polar Surface Area
112.9
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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