Molecule

ID:40930

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-8-5-11(6-9(2)13-8)10(3,4)7-12/h7-9H,5-6H2,1-4H3
InChIKey
YSDOSIHLBOUADT-UHFFFAOYSA-N
Canonic Smiles
O=CC(N1CC(C)OC(C1)C)(C)C
Isomeric Smiles
N1(C(C=O)(C)C)CC(OC(C1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.027369834
LogD (pH = 7.4)
1.0665991
Log P
1.1257162
Molar Refractivity
52.2666
Polarizability
20.710838
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
No Data Available
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Molecule Details
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References
Bioactivity
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