Molecule

ID:38996

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₅
Molecular Mass
293.31506
Exact Mass
293.12632271
Charge
0
InChI
InChI=1S/C15H19NO5/c1-15(2,3)21-14(20)16-8-10-6-11(17)5-4-9(10)7-12(16)13(18)19/h4-6,12,17H,7-8H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKey
ZJYIVHWYSNWCSX-GFCCVEGCSA-N
Canonic Smiles
O=C(N1Cc2cc(O)ccc2C[C@@H]1C(=O)O)OC(C)(C)C
Isomeric Smiles
c1c(cc2c(c1)C[C@@H](N(C2)C(=O)OC(C)(C)C)C(=O)O)O
Calculated Properties
JChem
Acid pKa
3.684353
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.4270725
LogD (pH = 7.4)
-1.0751277
Log P
2.2410505
Molar Refractivity
75.4215
Polarizability
29.252956
Polar Surface Area
87.07
Rotatable Bonds
3
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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