Molecule

ID:122960

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₄
Molecular Mass
225.2411
Exact Mass
225.10010797
Charge
0
InChI
InChI=1S/C11H15NO4/c13-8-7-11(4-1-2-5-11)10(16)12(8)6-3-9(14)15/h1-7H2,(H,14,15)
InChIKey
AUKOXTCZWFFRPJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN1C(=O)CC2(C1=O)CCCC2
Isomeric Smiles
N1(C(=O)C2(CC1=O)CCCC2)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.2383733
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.81282556
LogD (pH = 7.4)
-2.5373707
Log P
0.46961257
Molar Refractivity
54.4374
Polarizability
21.444416
Polar Surface Area
74.68
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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