Molecule
ID:80363
General Information
Molecular Formula
C₉H₁₉NO
Molecular Mass
157.25326
Exact Mass
157.14666423
Charge
0
InChI
InChI=1S/C9H19NO/c1-4-9(11)7-8-10(5-2)6-3/h4-8H2,1-3H3
InChIKey
FBPWCCUPYWUNGF-UHFFFAOYSA-N
Canonic Smiles
CCN(CCC(=O)CC)CC
Isomeric Smiles
O=C(CCN(CC)CC)CC
Calculated Properties
JChem
Acid pKa
18.28041
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.5930018
LogD (pH = 7.4)
-0.041940607
Log P
1.6489428
Molar Refractivity
48.4473
Polarizability
18.9108
Polar Surface Area
20.31
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
No Data Available
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Related Proteins
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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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