Molecule

ID:53648

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-6-10(14)13(2)9-4-3-7(11(15)16)5-8(9)12-6/h3-5H,1-2H3,(H,15,16)
InChIKey
GKNYFHHMUVSRFX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)nc(c(=O)n2C)C
Isomeric Smiles
n1(c(=O)c(nc2c1ccc(C(=O)O)c2)C)C
Calculated Properties
JChem
Acid pKa
4.6802487
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.1296689
LogD (pH = 7.4)
-1.9075071
Log P
0.7506043
Molar Refractivity
59.3267
Polarizability
21.247559
Polar Surface Area
69.97
Rotatable Bonds
1
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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