Molecule

ID:13626

General Information
Structure
Molecular Formula
C₁₁H₁₉NO₂
Molecular Mass
197.27406
Exact Mass
197.14157885
Charge
0
InChI
InChI=1S/C11H19NO2/c1-10(2)13-8-4-6-12-9-11-5-3-7-14-11/h3,5,7,10,12H,4,6,8-9H2,1-2H3
InChIKey
YRXHRCBJTHWIGL-UHFFFAOYSA-N
Canonic Smiles
CC(OCCCNCc1ccco1)C
Isomeric Smiles
c1cc(oc1)CNCCCOC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4074445
LogD (pH = 7.4)
0.27400565
Log P
1.3782085
Molar Refractivity
56.7732
Polarizability
22.296175
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
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Molecule Details
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References
Bioactivity
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