Molecule
ID:59274
General Information
Molecular Formula
C₁₀H₁₉NO
Molecular Mass
169.26396
Exact Mass
169.14666423
Charge
0
InChI
InChI=1S/C10H19NO/c1-10(2,3)8-4-5-9(12)11-7-6-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKey
UUFLMKKCFXJHER-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCC(CC1)C(C)(C)C
Isomeric Smiles
C1C(=O)NCCC(C1)C(C)(C)C
Calculated Properties
JChem
Acid pKa
15.217152
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6281812
LogD (pH = 7.4)
1.6281819
Log P
1.628182
Molar Refractivity
49.6332
Polarizability
19.626322
Polar Surface Area
29.1
Rotatable Bonds
1
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
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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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