Molecule
ID:87052
General Information
Molecular Formula
C₆H₁₁NO
Molecular Mass
113.15764
Exact Mass
113.08406398
Charge
0
InChI
InChI=1S/C6H11NO/c1-5(8)7-4-6-2-3-6/h6H,2-4H2,1H3,(H,7,8)
InChIKey
GDQTVPUAZAECHX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NCC1CC1
Isomeric Smiles
N(C(=O)C)CC1CC1
Calculated Properties
JChem
Acid pKa
16.236374
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.026035618
LogD (pH = 7.4)
-0.026034998
Log P
-0.026034988
Molar Refractivity
31.3046
Polarizability
12.265093
Polar Surface Area
29.1
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
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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