Molecule

ID:14933

General Information
Structure
Molecular Formula
C₁₀H₁₀N₂O₃
Molecular Mass
206.198
Exact Mass
206.06914219
Charge
0
InChI
InChI=1S/C10H10N2O3/c13-9(14)5-8-6-3-1-2-4-7(6)10(15)12-11-8/h1-4,6-7H,5H2,(H,12,15)(H,13,14)
InChIKey
DWERDDKXMJEATG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1=NNC(=O)C2C1C=CC=C2
Isomeric Smiles
C12C(C(=O)NN=C1CC(=O)O)C=CC=C2
Calculated Properties
JChem
Acid pKa
4.1121078
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.1449432
LogD (pH = 7.4)
-2.8339753
Log P
0.25746953
Molar Refractivity
54.4935
Polarizability
19.732546
Polar Surface Area
78.76
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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