Molecule
ID:33383
General Information
Molecular Formula
C₈H₁₇NO₂
Molecular Mass
159.22608
Exact Mass
159.12592879
Charge
0
InChI
InChI=1S/C8H17NO2/c1-5-11-8(10)6-7(2)9(3)4/h7H,5-6H2,1-4H3
InChIKey
JKSXUJFHXQYFMR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(N(C)C)C
Isomeric Smiles
C(C(=O)OCC)C(N(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.469009
LogD (pH = 7.4)
-0.98628336
Log P
0.82444257
Molar Refractivity
44.7086
Polarizability
17.757055
Polar Surface Area
29.54
Rotatable Bonds
5
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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