Molecule

ID:77416

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₅
Molecular Mass
279.28848
Exact Mass
279.11067265
Charge
0
InChI
InChI=1S/C14H17NO5/c1-2-20-11-5-3-9(4-6-11)13(17)15-8-10(16)7-12(15)14(18)19/h3-6,10,12,16H,2,7-8H2,1H3,(H,18,19)
InChIKey
QOSOPXPBMXWHEV-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)C(=O)N1CC(CC1C(=O)O)O
Isomeric Smiles
N1(C(=O)c2ccc(cc2)OCC)CC(CC1C(=O)O)O
Calculated Properties
JChem
Acid pKa
3.1946688
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.8639408
LogD (pH = 7.4)
-3.027972
Log P
0.41841438
Molar Refractivity
70.8304
Polarizability
27.222597
Polar Surface Area
87.07
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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