Molecule

ID:38810

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₁NO₄
Molecular Mass
387.42784
Exact Mass
387.14705816
Charge
0
InChI
InChI=1S/C24H21NO4/c1-14-11-12-20(23(26)27)22(15(14)2)25-24(28)29-13-21-18-9-5-3-7-16(18)17-8-4-6-10-19(17)21/h3-12,21H,13H2,1-2H3,(H,25,28)(H,26,27)
InChIKey
MCVBWDCTVPZBHP-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1c(ccc(c1C)C)C(=O)O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
c1(ccc(c(c1NC(=O)OCC1c2c(c3c1cccc3)cccc2)C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4057395
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.6184793
LogD (pH = 7.4)
2.299105
Log P
5.700564
Molar Refractivity
112.8956
Polarizability
43.40289
Polar Surface Area
75.63
Rotatable Bonds
5
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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