Molecule

ID:59918

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₄
Molecular Mass
275.29978
Exact Mass
275.11575803
Charge
0
InChI
InChI=1S/C15H17NO4/c1-10(17)16-6-4-15(5-7-16)9-13(19)12-3-2-11(18)8-14(12)20-15/h2-3,8,18H,4-7,9H2,1H3
InChIKey
NYDZDLACUVHREM-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)OC1(CC2=O)CCN(CC1)C(=O)C
Isomeric Smiles
c12c(C(=O)CC3(O1)CCN(C(=O)C)CC3)ccc(c2)O
Calculated Properties
JChem
Acid pKa
7.799826
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.18330999
LogD (pH = 7.4)
0.041074004
Log P
0.18546769
Molar Refractivity
72.6571
Polarizability
28.023779
Polar Surface Area
66.84
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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