Molecule

ID:39496

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉NO₄
Molecular Mass
337.36916
Exact Mass
337.13140809
Charge
0
InChI
InChI=1S/C20H19NO4/c22-19(23)13-9-10-21(11-13)20(24)25-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18H,9-12H2,(H,22,23)
InChIKey
GUAMYYOQAAUXLR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCN(C1)C(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C1(CCN(C1)C(=O)OCC1c2c(c3c1cccc3)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1374154
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6286101
LogD (pH = 7.4)
-0.06835223
Log P
3.006695
Molar Refractivity
92.5222
Polarizability
36.9484
Polar Surface Area
66.84
Rotatable Bonds
4
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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