Molecule

ID:38622

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₉NO₅
Molecular Mass
389.40066
Exact Mass
389.12632271
Charge
0
InChI
InChI=1S/C23H19NO5/c25-15-11-9-14(10-12-15)21(22(26)27)24-23(28)29-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-21,25H,13H2,(H,24,28)(H,26,27)/t21-/m1/s1
InChIKey
QBYSEGZHOGZXFO-OAQYLSRUSA-N
Canonic Smiles
O=C(N[C@H](c1ccc(cc1)O)C(=O)O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
[C@@H](c1ccc(cc1)O)(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
3.508268
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
2.1256487
LogD (pH = 7.4)
0.7330053
Log P
4.109417
Molar Refractivity
106.422
Polarizability
42.34621
Polar Surface Area
95.86
Rotatable Bonds
6
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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