Molecule

ID:33396

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₂
Molecular Mass
182.21966
Exact Mass
182.1055277
Charge
0
InChI
InChI=1S/C9H14N2O2/c1-4-13-9(12)8(3)11-6-7(2)5-10-11/h5-6,8H,4H2,1-3H3
InChIKey
CWAYDMJIOQEYTB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(n1ncc(c1)C)C
Isomeric Smiles
n1(ncc(c1)C)C(C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4638828
LogD (pH = 7.4)
1.4639757
Log P
1.4639769
Molar Refractivity
60.0988
Polarizability
18.892586
Polar Surface Area
44.12
Rotatable Bonds
4
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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