Molecule
ID:11428
General Information
Molecular Formula
C₁₀H₁₇NO₂
Molecular Mass
183.24748
Exact Mass
183.12592879
Charge
0
InChI
InChI=1S/C10H17NO2/c12-10(13)9-6-7-11(9)8-4-2-1-3-5-8/h8-9H,1-7H2,(H,12,13)
InChIKey
BFUBLGGCORUBBM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCN1C1CCCCC1
Isomeric Smiles
C1C(N(C1)C1CCCCC1)C(=O)O
Calculated Properties
JChem
Acid pKa
1.8408837
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1628282
LogD (pH = 7.4)
-1.163077
Log P
-1.1627831
Molar Refractivity
49.7286
Polarizability
19.736694
Polar Surface Area
40.54
Rotatable Bonds
2
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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