Molecule

ID:63251

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₂
Molecular Mass
169.2209
Exact Mass
169.11027873
Charge
0
InChI
InChI=1S/C9H15NO2/c1-7-5-10(6-7)8(11)12-9(2,3)4/h1,5-6H2,2-4H3
InChIKey
MECAHFSQQZQZOI-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC(=C)C1)OC(C)(C)C
Isomeric Smiles
C1C(=C)CN1C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3027316
LogD (pH = 7.4)
1.3027316
Log P
1.3027316
Molar Refractivity
46.6466
Polarizability
18.243229
Polar Surface Area
29.54
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
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Molecule Details
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References
Bioactivity
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