Molecule

ID:77948

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-5-12-6-2-9(1)11-10-3-7-13-8-4-10/h9-11H,1-8H2
InChIKey
WWPWWQFNGOWXOS-UHFFFAOYSA-N
Canonic Smiles
O1CCC(CC1)NC1CCOCC1
Isomeric Smiles
N(C1CCOCC1)C1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.5053642
LogD (pH = 7.4)
-3.147016
Log P
-0.2705063
Molar Refractivity
51.6444
Polarizability
20.602833
Polar Surface Area
30.49
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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