Molecule

ID:38569

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₅
Molecular Mass
281.30436
Exact Mass
281.12632271
Charge
0
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-11(12(16)17)9-7-5-6-8-10(9)19-4/h5-8,11H,1-4H3,(H,15,18)(H,16,17)
InChIKey
KRHZKJYHTQGZGS-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C(C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
c1ccc(c(c1)C(C(=O)O)NC(=O)OC(C)(C)C)OC
Calculated Properties
JChem
Acid pKa
3.6712224
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.29677448
LogD (pH = 7.4)
-1.1934593
Log P
2.12338
Molar Refractivity
71.6975
Polarizability
28.206577
Polar Surface Area
84.86
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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