Molecule

ID:134751

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₄
Molecular Mass
299.29060968
Exact Mass
299.10681764
Charge
0
InChI
InChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)/i9+1,16+1
InChIKey
NDKDFTQNXLHCGO-QZZXWHIHSA-N
Canonic Smiles
O[13C](=O)[13CH2]NC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c1ccccc1C2COC(=O)N[13CH2][13C](=O)O
Calculated Properties
JChem
Acid pKa
3.7183595
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.6954838
LogD (pH = 7.4)
-0.8214305
Log P
2.476553
Molar Refractivity
80.0832
Polarizability
32.151886
Polar Surface Area
75.63
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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