Molecule

ID:75391

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-3-9-6-4-5-7(9)8(10)11-2/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKey
QHWKVODROGDHIE-SSDOTTSWSA-N
Canonic Smiles
CCN1CCC[C@@H]1C(=O)OC
Isomeric Smiles
N1(CCC[C@@H]1C(=O)OC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.3145833
LogD (pH = 7.4)
0.36559615
Log P
0.78860855
Molar Refractivity
42.8767
Polarizability
17.03371
Polar Surface Area
29.54
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
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Molecule Details
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References
Bioactivity
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