Molecule

ID:56220

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₉NO₄
Molecular Mass
373.40126
Exact Mass
373.13140809
Charge
0
InChI
InChI=1S/C23H19NO4/c25-22-14-17(23(26)27)15-24(22)18-10-12-19(13-11-18)28-21-9-5-4-8-20(21)16-6-2-1-3-7-16/h1-13,17H,14-15H2,(H,26,27)
InChIKey
MOKIYLJPWZICNR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)c1ccc(cc1)Oc1ccccc1c1ccccc1
Isomeric Smiles
c1(ccc(cc1)N1C(=O)CC(C(=O)O)C1)Oc1ccccc1c1ccccc1
Calculated Properties
JChem
Acid pKa
3.5839324
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9173357
LogD (pH = 7.4)
0.47961053
Log P
3.8281898
Molar Refractivity
104.3951
Polarizability
41.79264
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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