Molecule

ID:65221

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₄
Molecular Mass
241.28356
Exact Mass
241.13140809
Charge
0
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(15)13-5-4-12(8-13)6-9(14)7-16-12/h4-8H2,1-3H3
InChIKey
PBIPOVUIKARFCM-UHFFFAOYSA-N
Canonic Smiles
O=C1COC2(C1)CCN(C2)C(=O)OC(C)(C)C
Isomeric Smiles
C12(CC(=O)CO1)CN(CC2)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
16.36669
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.66126025
LogD (pH = 7.4)
0.66126025
Log P
0.66126025
Molar Refractivity
60.9642
Polarizability
24.11274
Polar Surface Area
55.84
Rotatable Bonds
2
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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