Molecule

ID:132621

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₅
Molecular Mass
304.29794
Exact Mass
304.10592162
Charge
0
InChI
InChI=1S/C15H16N2O5/c1-8-6-14(19)22-12-7-9(2-3-10(8)12)17-13(18)5-4-11(16)15(20)21/h2-3,6-7,11H,4-5,16H2,1H3,(H,17,18)(H,20,21)
InChIKey
JPOAPPISZAGCAO-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc2c(c1)oc(=O)cc2C)CCC(C(=O)O)N
Isomeric Smiles
Cc1cc(=O)oc2c1ccc(c2)NC(=O)CCC(C(=O)O)N
Calculated Properties
JChem
Acid pKa
1.5558466
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.6506109
LogD (pH = 7.4)
-1.655505
Log P
-1.6506562
Molar Refractivity
79.3376
Polarizability
30.049864
Polar Surface Area
118.72
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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