Molecule

ID:11041

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₅
Molecular Mass
275.25672
Exact Mass
275.07937252
Charge
0
InChI
InChI=1S/C14H13NO5/c1-8(16)11-12(9-5-3-2-4-6-9)15(7-10(17)18)14(20)13(11)19/h2-6,12,19H,7H2,1H3,(H,17,18)
InChIKey
MGJBYEARFYIWTC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1C(c2ccccc2)C(=C(C1=O)O)C(=O)C
Isomeric Smiles
C1(=C(C(N(C1=O)CC(=O)O)c1ccccc1)C(=O)C)O
Calculated Properties
JChem
Acid pKa
3.6967688
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.5089269
LogD (pH = 7.4)
-3.5394256
Log P
0.30604294
Molar Refractivity
69.979
Polarizability
26.585371
Polar Surface Area
94.91
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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