Molecule

ID:42341

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)4-6-11-7-5-10-8(11)2/h5,7H,3-4,6H2,1-2H3
InChIKey
ZWDNBRFFSIJPGQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCn1ccnc1C
Isomeric Smiles
n1(c(ncc1)C)CCC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.59321916
LogD (pH = 7.4)
0.17561089
Log P
0.41921464
Molar Refractivity
48.6519
Polarizability
18.899017
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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