Molecule

ID:59782

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₅
Molecular Mass
279.28848
Exact Mass
279.11067265
Charge
0
InChI
InChI=1S/C14H17NO5/c1-8(2)12(14(17)18)15-13(16)11-7-19-9-5-3-4-6-10(9)20-11/h3-6,8,11-12H,7H2,1-2H3,(H,15,16)(H,17,18)/t11?,12-/m0/s1
InChIKey
KBPKRXAQQHHLFI-KIYNQFGBSA-N
Canonic Smiles
CC([C@@H](C(=O)O)NC(=O)C1COc2c(O1)cccc2)C
Isomeric Smiles
C1(C(=O)N[C@H](C(=O)O)C(C)C)Oc2c(OC1)cccc2
Calculated Properties
JChem
Acid pKa
3.4792817
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.4842899
LogD (pH = 7.4)
-1.8541788
Log P
1.5272942
Molar Refractivity
69.1383
Polarizability
27.48515
Polar Surface Area
84.86
Rotatable Bonds
4
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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