Molecule

ID:65943

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKey
AJUGGHOVBBTHCD-RQJHMYQMSA-N
Canonic Smiles
COC(=O)[C@H]1CC[C@H](NC1)C
Isomeric Smiles
[C@H]1(CN[C@@H](CC1)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5455263
LogD (pH = 7.4)
-1.3241806
Log P
0.59860873
Molar Refractivity
42.1092
Polarizability
17.03371
Polar Surface Area
38.33
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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