Molecule

ID:39806

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O₅
Molecular Mass
278.26066
Exact Mass
278.09027156
Charge
0
InChI
InChI=1S/C13H14N2O5/c1-19-7-3-4-11(20-2)8(5-7)9-6-10(12(16)17)15-13(18)14-9/h3-6,9H,1-2H3,(H,16,17)(H2,14,15,18)
InChIKey
HNWCQBBEAZICEC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C1NC(=O)NC(=C1)C(=O)O)OC
Isomeric Smiles
C1(=CC(NC(=O)N1)c1c(ccc(c1)OC)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6323347
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.6847311
LogD (pH = 7.4)
-3.1520576
Log P
0.1794244
Molar Refractivity
70.3296
Polarizability
26.563412
Polar Surface Area
96.89
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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