Molecule

ID:34598

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₂
Molecular Mass
182.21966
Exact Mass
182.1055277
Charge
0
InChI
InChI=1S/C9H14N2O2/c1-3-13-9(12)4-5-11-7-8(2)6-10-11/h6-7H,3-5H2,1-2H3
InChIKey
VUCXECMIPPLVPZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCn1ncc(c1)C
Isomeric Smiles
n1(ncc(c1)C)CCC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1321025
LogD (pH = 7.4)
1.1322237
Log P
1.1322253
Molar Refractivity
60.3043
Polarizability
18.89322
Polar Surface Area
44.12
Rotatable Bonds
5
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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