Molecule

ID:65261

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-8(2)5(4-6(8)9)7(10)11-3/h5-6H,4,9H2,1-3H3/t5-,6-/m1/s1
InChIKey
VUSQBNNLIDLIBW-PHDIDXHHSA-N
Canonic Smiles
COC(=O)[C@H]1C[C@H](C1(C)C)N
Isomeric Smiles
N[C@H]1C([C@H](C1)C(=O)OC)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6197135
LogD (pH = 7.4)
-2.0152457
Log P
0.39628658
Molar Refractivity
41.6097
Polarizability
17.03371
Polar Surface Area
52.32
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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