Molecule

ID:35649

General Information
Structure
Molecular Formula
C₁₀H₁₇NO₂
Molecular Mass
183.24748
Exact Mass
183.12592879
Charge
0
InChI
InChI=1S/C10H17NO2/c1-2-12-7-4-6-11-9-10-5-3-8-13-10/h3,5,8,11H,2,4,6-7,9H2,1H3
InChIKey
LXVXJJBDGXLPDY-UHFFFAOYSA-N
Canonic Smiles
CCOCCCNCc1ccco1
Isomeric Smiles
c1(occc1)CNCCCOCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8240262
LogD (pH = 7.4)
-0.14257881
Log P
0.9616335
Molar Refractivity
52.3544
Polarizability
20.455036
Polar Surface Area
34.4
Rotatable Bonds
7
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
References
Bioactivity
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