Molecule
ID:112154
General Information
Molecular Formula
C₉H₂₁NO₃
Molecular Mass
191.26794
Exact Mass
191.15214354
Charge
0
InChI
InChI=1S/C9H21NO3/c1-5-9(11-6-2)10(12-7-3)13-8-4/h9H,5-8H2,1-4H3
InChIKey
YYECMKJXLVNVHP-UHFFFAOYSA-N
Canonic Smiles
CCON(C(OCC)CC)OCC
Isomeric Smiles
CCOC(CC)N(OCC)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5099046
LogD (pH = 7.4)
1.5099046
Log P
1.5099046
Molar Refractivity
52.2013
Polarizability
20.91951
Polar Surface Area
30.93
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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