Molecule

ID:39554

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₁NO₄
Molecular Mass
387.42784
Exact Mass
387.14705816
Charge
0
InChI
InChI=1S/C24H21NO4/c1-25(22(23(26)27)16-9-3-2-4-10-16)24(28)29-15-21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)21/h2-14,21-22H,15H2,1H3,(H,26,27)/t22-/m0/s1
InChIKey
ZJBPFSBDUVNICK-QFIPXVFZSA-N
Canonic Smiles
OC(=O)[C@@H](N(C(=O)OCC1c2ccccc2c2c1cccc2)C)c1ccccc1
Isomeric Smiles
c1(ccccc1)[C@H](N(C)C(=O)OCC1c2c(c3c1cccc3)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7525642
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8886378
LogD (pH = 7.4)
1.353132
Log P
4.636658
Molar Refractivity
109.3378
Polarizability
43.596146
Polar Surface Area
66.84
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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