Molecule

ID:131694

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₅
Molecular Mass
294.30312
Exact Mass
294.12157169
Charge
0
InChI
InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-12(17)8-10(15)13(18)19/h2-6,10-11H,7-8,15H2,1H3,(H,16,17)(H,18,19)/t10-,11-/m0/s1
InChIKey
SHHIPKDJQYIJJF-QWRGUYRKSA-N
Canonic Smiles
COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](C(=O)O)N
Isomeric Smiles
COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](C(=O)O)N
Calculated Properties
JChem
Acid pKa
1.9198438
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.2156997
LogD (pH = 7.4)
-2.2514522
Log P
-2.2155774
Molar Refractivity
73.2182
Polarizability
29.14675
Polar Surface Area
118.72
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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