Molecule

ID:39273

General Information
Structure
Molecular Formula
C₂₃H₁₉NO₄
Molecular Mass
373.40126
Exact Mass
373.13140809
Charge
0
InChI
InChI=1S/C23H19NO4/c25-22(26)13-15-7-1-6-12-21(15)24-23(27)28-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20H,13-14H2,(H,24,27)(H,25,26)
InChIKey
LFLJMIMQXJBATH-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1CC(=O)O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
c1cccc(c1NC(=O)OCC1c2c(c3c1cccc3)cccc2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.8656378
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.0150547
LogD (pH = 7.4)
1.4228802
Log P
4.6538863
Molar Refractivity
106.8646
Polarizability
41.73887
Polar Surface Area
75.63
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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