Molecule

ID:38832

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₉NO₄
Molecular Mass
373.40126
Exact Mass
373.13140809
Charge
0
InChI
InChI=1S/C23H19NO4/c1-14-10-11-15(22(25)26)12-21(14)24-23(27)28-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-12,20H,13H2,1H3,(H,24,27)(H,25,26)
InChIKey
MNLLXICLNDZTOF-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(ccc1C)C(=O)O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
c1c(ccc(c1NC(=O)OCC1c2c(c3c1cccc3)cccc2)C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.12194
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.794321
LogD (pH = 7.4)
2.1021223
Log P
5.1871424
Molar Refractivity
107.8544
Polarizability
41.63486
Polar Surface Area
75.63
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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