Molecule

ID:23633

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃O₃
Molecular Mass
223.22852
Exact Mass
223.09569129
Charge
0
InChI
InChI=1S/C10H13N3O3/c11-12-10(15)7-4-9(14)13(5-7)6-8-2-1-3-16-8/h1-3,7H,4-6,11H2,(H,12,15)
InChIKey
GXKUFHXQPDLDQA-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CC(=O)N(C1)Cc1ccco1
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)NN)Cc1occc1
Calculated Properties
JChem
Acid pKa
11.993234
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.2972339
LogD (pH = 7.4)
-1.2960056
Log P
-1.2959799
Molar Refractivity
56.5503
Polarizability
21.44584
Polar Surface Area
88.57
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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