Molecule

ID:53336

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₅
Molecular Mass
292.28724
Exact Mass
292.10592162
Charge
0
InChI
InChI=1S/C14H16N2O5/c1-3-21-14(19)10-11(17)9-5-4-6-15-12(9)16(13(10)18)7-8-20-2/h4-6,17H,3,7-8H2,1-2H3
InChIKey
UPIOHCLYCSXZGP-UHFFFAOYSA-N
Canonic Smiles
COCCn1c(=O)c(C(=O)OCC)c(c2c1nccc2)O
Isomeric Smiles
c1cnc2c(c1)c(O)c(c(=O)n2CCOC)C(=O)OCC
Calculated Properties
JChem
Acid pKa
4.7743673
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.44457313
LogD (pH = 7.4)
-2.0600367
Log P
0.36074954
Molar Refractivity
75.0795
Polarizability
28.465406
Polar Surface Area
88.96
Rotatable Bonds
6
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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