Molecule

ID:59693

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₅
Molecular Mass
292.28724
Exact Mass
292.10592162
Charge
0
InChI
InChI=1S/C14H16N2O5/c1-7(14(18)19)15-13(17)9-6-8-10(20-2)4-5-11(21-3)12(8)16-9/h4-7,16H,1-3H3,(H,15,17)(H,18,19)/t7-/m0/s1
InChIKey
VUAHMLVEMBXQRZ-ZETCQYMHSA-N
Canonic Smiles
COc1ccc(c2c1[nH]c(c2)C(=O)N[C@H](C(=O)O)C)OC
Isomeric Smiles
[nH]1c(cc2c1c(ccc2OC)OC)C(=O)N[C@H](C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.2753048
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.4085393
LogD (pH = 7.4)
-2.6335058
Log P
0.7977303
Molar Refractivity
74.502
Polarizability
29.489779
Polar Surface Area
100.65
Rotatable Bonds
5
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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