Molecule

ID:66521

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₃
Molecular Mass
185.2203
Exact Mass
185.10519335
Charge
0
InChI
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h4-6H2,1-3H3
InChIKey
JSOMVCDXPUXKIC-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(=O)CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
18.092585
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8362652
LogD (pH = 7.4)
0.8362652
Log P
0.8362652
Molar Refractivity
47.4645
Polarizability
18.603695
Polar Surface Area
46.61
Rotatable Bonds
2
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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