Molecule

ID:39290

General Information
Structure
Molecular Formula
C₁₉H₂₃NO₄
Molecular Mass
329.39022
Exact Mass
329.16270822
Charge
0
InChI
InChI=1S/C19H23NO4/c1-19(2,3)24-18(23)20-15(12-17(21)22)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10,15H,11-12H2,1-3H3,(H,20,23)(H,21,22)/t15-/m1/s1
InChIKey
JXDXPRAUFACOHG-OAHLLOKOSA-N
Canonic Smiles
OC(=O)C[C@@H](Cc1cccc2c1cccc2)NC(=O)OC(C)(C)C
Isomeric Smiles
c1cc(c2c(c1)cccc2)C[C@H](CC(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.680669
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.7642295
LogD (pH = 7.4)
0.9863726
Log P
3.6440127
Molar Refractivity
91.0638
Polarizability
36.810623
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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