Molecule

ID:39005

General Information
Structure
Molecular Formula
C₁₄H₁₉NO₅
Molecular Mass
281.30436
Exact Mass
281.12632271
Charge
0
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-10(12(17)18)8-9-6-4-5-7-11(9)16/h4-7,10,16H,8H2,1-3H3,(H,15,19)(H,17,18)
InChIKey
TYSXAMSICCTNAT-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC(C(=O)O)Cc1ccccc1O
Isomeric Smiles
c1cc(c(cc1)CC(C(=O)O)NC(=O)OC(C)(C)C)O
Calculated Properties
JChem
Acid pKa
3.7797565
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.5443389
LogD (pH = 7.4)
-1.0101333
Log P
2.2661471
Molar Refractivity
71.9702
Polarizability
28.141579
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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