Molecule

ID:39286

General Information
Structure
Molecular Formula
C₂₄H₁₉NO₄
Molecular Mass
385.41196
Exact Mass
385.13140809
Charge
0
InChI
InChI=1S/C24H19NO4/c26-23(27)14-11-16-9-12-17(13-10-16)25-24(28)29-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-14,22H,15H2,(H,25,28)(H,26,27)/b14-11+
InChIKey
MULOIKZCIBVDEJ-SDNWHVSQSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)/C=C/C(=O)O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
c1(ccc(cc1)/C=C/C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
3.800569
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.4773324
LogD (pH = 7.4)
1.9168564
Log P
5.1789784
Molar Refractivity
112.5589
Polarizability
43.41995
Polar Surface Area
75.63
Rotatable Bonds
6
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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