Molecule

ID:62575

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₄
Molecular Mass
261.2732
Exact Mass
261.10010797
Charge
0
InChI
InChI=1S/C14H15NO4/c1-19-13(17)8-9(16)6-7-11-10-4-2-3-5-12(10)15-14(11)18/h2-5,11H,6-8H2,1H3,(H,15,18)
InChIKey
OUTFTDYCBDAONA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)CCC1C(=O)Nc2c1cccc2
Isomeric Smiles
C1(=O)Nc2c(C1CCC(=O)CC(=O)OC)cccc2
Calculated Properties
JChem
Acid pKa
10.277965
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7850062
LogD (pH = 7.4)
1.784439
Log P
1.5516801
Molar Refractivity
69.6911
Polarizability
26.40108
Polar Surface Area
72.47
Rotatable Bonds
6
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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