Molecule

ID:10827

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-6(11(15)16)9-7-4-2-3-5-8(7)10(14)13-12-9/h2-6H,1H3,(H,13,14)(H,15,16)
InChIKey
AACAKXDXYHEHDJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1n[nH]c(=O)c2c1cccc2)C
Isomeric Smiles
c1(n[nH]c(=O)c2c1cccc2)C(C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.6460462
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.5807387
LogD (pH = 7.4)
-2.0562706
Log P
1.2702488
Molar Refractivity
56.9149
Polarizability
21.086582
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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