Molecule

ID:53460

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₄
Molecular Mass
241.28356
Exact Mass
241.13140809
Charge
0
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
PICPNXSVAVWVIC-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(=CC(=O)O)CC1)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(=CC(=O)O)CC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.0534763
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.1520198
LogD (pH = 7.4)
-1.821406
Log P
1.3061924
Molar Refractivity
63.4722
Polarizability
24.33375
Polar Surface Area
66.84
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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