Molecule

ID:131482

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₆
Molecular Mass
297.30376
Exact Mass
297.12123733
Charge
0
InChI
InChI=1S/C14H19NO6/c1-8(17)15-11-13(19)12(18)10(7-16)21-14(11)20-9-5-3-2-4-6-9/h2-6,10-14,16,18-19H,7H2,1H3,(H,15,17)/t10-,11-,12-,13-,14-/m1/s1
InChIKey
ZUJDLWWYFIZERS-DHGKCCLASA-N
Canonic Smiles
OC[C@H]1O[C@@H](Oc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
Isomeric Smiles
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc1ccccc1)CO)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.89
LogD (pH = 5.5)
-0.89
Log P
-0.89
Rotatable Bonds
4
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
12.23
Polar Surface Area
108.25
Polarizability
29.58
Molar Refractivity
71.28
LOG S
-1.92
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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