Molecule

ID:38764

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉NO₆
Molecular Mass
369.36796
Exact Mass
369.12123733
Charge
0
InChI
InChI=1S/C20H19NO6/c1-11(18(22)23)17(19(24)25)21-20(26)27-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16-17H,10H2,1H3,(H,21,26)(H,22,23)(H,24,25)
InChIKey
FURAIDJEXKUWTK-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(C(C(=O)O)C)C(=O)O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C(C(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2)(C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5711167
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.63853407
LogD (pH = 7.4)
-2.4594138
Log P
2.9464915
Molar Refractivity
95.187
Polarizability
38.210262
Polar Surface Area
112.93
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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