Molecule

ID:44054

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₅
Molecular Mass
279.28848
Exact Mass
279.11067265
Charge
0
InChI
InChI=1S/C14H17NO5/c1-3-20-13(17)12-7-10-6-11(16)5-4-9(10)8-15(12)14(18)19-2/h4-6,12,16H,3,7-8H2,1-2H3
InChIKey
FUIIRPDTBLOESH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1Cc2cc(O)ccc2CN1C(=O)OC
Isomeric Smiles
N1(C(Cc2c(C1)ccc(c2)O)C(=O)OCC)C(=O)OC
Calculated Properties
JChem
Acid pKa
9.412029
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.68974
LogD (pH = 7.4)
1.6856138
Log P
1.6897929
Molar Refractivity
71.1336
Polarizability
27.666496
Polar Surface Area
76.07
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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