Molecule

ID:64374

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₂
Molecular Mass
182.21966
Exact Mass
182.1055277
Charge
0
InChI
InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)11-5-7(4-10)6-11/h7H,5-6H2,1-3H3
InChIKey
WEFREESWPHICPL-UHFFFAOYSA-N
Canonic Smiles
N#CC1CN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1C(CN1C(=O)OC(C)(C)C)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6440517
LogD (pH = 7.4)
0.6440517
Log P
0.6440517
Molar Refractivity
47.5397
Polarizability
18.365263
Polar Surface Area
53.33
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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