Molecule

ID:30659

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₄
Molecular Mass
225.2411
Exact Mass
225.10010797
Charge
0
InChI
InChI=1S/C11H15NO4/c13-9(14)5-6-12-10(15)7-3-1-2-4-8(7)11(12)16/h7-8H,1-6H2,(H,13,14)
InChIKey
IJLCTNHKIXADOV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN1C(=O)C2C(C1=O)CCCC2
Isomeric Smiles
N1(C(=O)C2C(C1=O)CCCC2)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.2383733
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.8258535
LogD (pH = 7.4)
-2.5503986
Log P
0.45658454
Molar Refractivity
54.5109
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
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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