Molecule

ID:38802

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₅
Molecular Mass
294.30312
Exact Mass
294.12157169
Charge
0
InChI
InChI=1S/C14H18N2O5/c1-8(17)15-9-5-6-11(10(7-9)12(18)19)16-13(20)21-14(2,3)4/h5-7H,1-4H3,(H,15,17)(H,16,20)(H,18,19)
InChIKey
GCOIHHGLRASUAI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(c(c1)C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
c1(cc(ccc1NC(=O)OC(C)(C)C)NC(=O)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0403798
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.64613736
LogD (pH = 7.4)
-1.6900989
Log P
1.7795002
Molar Refractivity
78.4694
Polarizability
28.725407
Polar Surface Area
104.73
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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