Molecule

ID:39276

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₉NO₄
Molecular Mass
373.40126
Exact Mass
373.13140809
Charge
0
InChI
InChI=1S/C23H19NO4/c25-22(26)13-15-6-5-7-16(12-15)24-23(27)28-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26)
InChIKey
DFSRRXZHWJUCFU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1cccc(c1)NC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
c1ccc(cc1NC(=O)OCC1c2c(c3c1cccc3)cccc2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.856692
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.0064232
LogD (pH = 7.4)
1.4184583
Log P
4.6538863
Molar Refractivity
106.8646
Polarizability
41.73864
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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