Molecule

ID:91058

General Information
Structure
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Molecular Formula
C₈H₁₉NO₂
Molecular Mass
161.24196
Exact Mass
161.14157885
Charge
0
InChI
InChI=1S/C8H19NO2/c1-5-10-8(11-6-2)7-9(3)4/h8H,5-7H2,1-4H3
InChIKey
SSFAUOAQOOISRQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(CN(C)C)OCC
Isomeric Smiles
O(C(CN(C)C)OCC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.4622971
LogD (pH = 7.4)
0.31127676
Log P
1.1357124
Molar Refractivity
46.3099
Polarizability
18.374706
Polar Surface Area
21.7
Rotatable Bonds
6
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
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Molecule Details
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References
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Bioactivity
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