Molecule

ID:51749

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO
Molecular Mass
113.15764
Exact Mass
113.08406398
Charge
0
InChI
InChI=1S/C6H11NO/c1-6(2)3-4-7-5(6)8/h3-4H2,1-2H3,(H,7,8)
InChIKey
IYZVTTRRGCJXGK-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCC1(C)C
Isomeric Smiles
C1(=O)C(CCN1)(C)C
Calculated Properties
JChem
Acid pKa
14.887706
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.51939124
LogD (pH = 7.4)
0.5193913
Log P
0.5193913
Molar Refractivity
31.3334
Polarizability
12.265093
Polar Surface Area
29.1
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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