Molecule

ID:56030

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄O₂
Molecular Mass
218.212
Exact Mass
218.08037558
Charge
0
InChI
InChI=1S/C10H10N4O2/c11-13-9(15)6-14-10(16)8-4-2-1-3-7(8)5-12-14/h1-5H,6,11H2,(H,13,15)
InChIKey
APJLGFPKFHSASL-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Cn1ncc2c(c1=O)cccc2
Isomeric Smiles
n1(c(=O)c2c(cn1)cccc2)CC(=O)NN
Calculated Properties
JChem
Acid pKa
11.910541
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.41281307
LogD (pH = 7.4)
-0.41189396
Log P
-0.41187
Molar Refractivity
59.4651
Polarizability
21.357042
Polar Surface Area
87.79
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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