Molecule

ID:69439

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-8(2,3)11-7(10)9-6-4-5-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKey
WFFGQLYKMWGXMU-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC1CC1
Isomeric Smiles
N(C1CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.270473
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.332203
LogD (pH = 7.4)
1.332203
Log P
1.332203
Molar Refractivity
42.003
Polarizability
16.65312
Polar Surface Area
38.33
Rotatable Bonds
3
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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