Molecule

ID:39204

General Information
Structure
Molecular Formula
C₁₉H₁₉NO₅
Molecular Mass
341.35786
Exact Mass
341.12632271
Charge
0
InChI
InChI=1S/C19H19NO5/c1-19(11-21,17(22)23)20-18(24)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16,21H,10-11H2,1H3,(H,20,24)(H,22,23)/t19-/m1/s1
InChIKey
QJTSLFSLVWJFCO-LJQANCHMSA-N
Canonic Smiles
OC[C@](C(=O)O)(NC(=O)OCC1c2ccccc2c2c1cccc2)C
Isomeric Smiles
[C@](CO)(C)(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
3.6218903
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.5569366
LogD (pH = 7.4)
-0.904102
Log P
2.431173
Molar Refractivity
90.8341
Polarizability
36.458607
Polar Surface Area
95.86
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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