Molecule

ID:32213

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂O₄
Molecular Mass
312.31994
Exact Mass
312.111007
Charge
0
InChI
InChI=1S/C17H16N2O4/c1-2-18-15(20)11-7-9-12(10-8-11)19-16(21)13-5-3-4-6-14(13)17(22)23/h3-10H,2H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKey
WCNJXLKRZSMMEF-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)c1ccc(cc1)NC(=O)c1ccccc1C(=O)O
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)Nc1ccc(C(=O)NCC)cc1
Calculated Properties
JChem
Acid pKa
2.9103847
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.38975462
LogD (pH = 7.4)
-1.3305246
Log P
2.153838
Molar Refractivity
87.5714
Polarizability
31.806004
Polar Surface Area
95.5
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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