Molecule

ID:67947

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₃
Molecular Mass
185.2203
Exact Mass
185.10519335
Charge
0
InChI
InChI=1S/C9H15NO3/c1-4-13-8(12)10-6-5-7(11)9(10,2)3/h4-6H2,1-3H3
InChIKey
HWPDAUHYYHRPNF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCC(=O)C1(C)C
Isomeric Smiles
N1(C(C(=O)CC1)(C)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
17.971502
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1406436
LogD (pH = 7.4)
1.1406436
Log P
1.1406436
Molar Refractivity
47.6147
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
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References
Bioactivity
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