Molecule

ID:38828

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₉NO₄
Molecular Mass
373.40126
Exact Mass
373.13140809
Charge
0
InChI
InChI=1S/C23H19NO4/c1-24(21-13-7-6-12-19(21)22(25)26)23(27)28-14-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)20/h2-13,20H,14H2,1H3,(H,25,26)
InChIKey
WYCXAHWYARJRQK-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccccc1C(=O)O)C(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
c1cccc(c1N(C)C(=O)OCC1c2c(c3c1cccc3)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1707325
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.2329483
LogD (pH = 7.4)
1.0873188
Log P
4.537787
Molar Refractivity
105.9291
Polarizability
41.71399
Polar Surface Area
66.84
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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