Molecule
ID:33385
General Information
Molecular Formula
C₉H₁₉NO₂
Molecular Mass
173.25266
Exact Mass
173.14157885
Charge
0
InChI
InChI=1S/C9H19NO2/c1-5-10(4)8(3)7-9(11)12-6-2/h8H,5-7H2,1-4H3
InChIKey
HUBXCNHHVREQJA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(N(CC)C)C
Isomeric Smiles
C(C(=O)OCC)C(N(CC)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.1985126
LogD (pH = 7.4)
-0.89738476
Log P
1.1812505
Molar Refractivity
49.4572
Polarizability
19.596916
Polar Surface Area
29.54
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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