Molecule

ID:38775

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₆
Molecular Mass
297.30376
Exact Mass
297.12123733
Charge
0
InChI
InChI=1S/C14H19NO6/c1-14(2,3)21-13(18)15-9-7-11(20-5)10(19-4)6-8(9)12(16)17/h6-7H,1-5H3,(H,15,18)(H,16,17)
InChIKey
ZXNOFBMUVBIGOE-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C(=O)O)c(cc1OC)NC(=O)OC(C)(C)C
Isomeric Smiles
c1(cc(c(cc1NC(=O)OC(C)(C)C)OC)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2702544
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
0.0154021
LogD (pH = 7.4)
-1.2057865
Log P
2.2264473
Molar Refractivity
76.5328
Polarizability
28.896372
Polar Surface Area
94.09
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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