Molecule
ID:34321
General Information
Molecular Formula
C₆H₁₁NO
Molecular Mass
113.15764
Exact Mass
113.08406398
Charge
0
InChI
InChI=1S/C6H11NO/c1-6(2)4-3-5(8)7-6/h3-4H2,1-2H3,(H,7,8)
InChIKey
UUTGCNVYKLQLRV-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(N1)(C)C
Isomeric Smiles
C1(=O)NC(CC1)(C)C
Calculated Properties
JChem
Acid pKa
14.779525
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.11754219
LogD (pH = 7.4)
0.11754238
Log P
0.11754239
Molar Refractivity
31.3149
Polarizability
12.265093
Polar Surface Area
29.1
Rotatable Bonds
0
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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