Molecule

ID:21609

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃O₂
Molecular Mass
207.22912
Exact Mass
207.10077667
Charge
0
InChI
InChI=1S/C10H13N3O2/c11-13-10(15)7-6-9(14)12-8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,12,14)(H,13,15)
InChIKey
ROJPAFXOUKTQAD-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCC(=O)Nc1ccccc1
Isomeric Smiles
C(=O)(Nc1ccccc1)CCC(=O)NN
Calculated Properties
JChem
Acid pKa
12.700215
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.06887873
LogD (pH = 7.4)
-0.06761748
Log P
-0.06759938
Molar Refractivity
58.1206
Polarizability
21.540386
Polar Surface Area
84.22
Rotatable Bonds
4
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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