Molecule

ID:38840

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₉NO₄
Molecular Mass
373.40126
Exact Mass
373.13140809
Charge
0
InChI
InChI=1S/C23H19NO4/c25-22(26)16-11-9-15(10-12-16)13-24-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26)
InChIKey
JRHUROPSUJVMNH-UHFFFAOYSA-N
Canonic Smiles
O=C(NCc1ccc(cc1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
c1cc(ccc1CNC(=O)OCC1c2c(c3c1cccc3)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
4.065221
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.9336517
LogD (pH = 7.4)
1.2601506
Log P
4.3806257
Molar Refractivity
105.8674
Polarizability
41.722927
Polar Surface Area
75.63
Rotatable Bonds
6
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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