Molecule

ID:39272

General Information
Structure
Molecular Formula
C₂₄H₂₁NO₄
Molecular Mass
387.42784
Exact Mass
387.14705816
Charge
0
InChI
InChI=1S/C24H21NO4/c26-23(27)13-16-7-1-2-8-17(16)14-25-24(28)29-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22H,13-15H2,(H,25,28)(H,26,27)
InChIKey
MGJNVQNKJUCMLU-UHFFFAOYSA-N
Canonic Smiles
O=C(OCC1c2ccccc2c2c1cccc2)NCc1ccccc1CC(=O)O
Isomeric Smiles
c1(ccccc1CC(=O)O)CNC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
4.0737214
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.9219468
LogD (pH = 7.4)
1.2455193
Log P
4.3607907
Molar Refractivity
109.9188
Polarizability
43.59387
Polar Surface Area
75.63
Rotatable Bonds
7
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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