Molecule

ID:92716

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(6)5(7)8/h4H,3H2,1-2H3,(H2,7,8)/t4-/m0/s1
InChIKey
YBZQRYWKYBZZNT-BYPYZUCNSA-N
Canonic Smiles
NC(=O)[C@@H]1CC1(C)C
Isomeric Smiles
[C@@H]1(C(C1)(C)C)C(=O)N
Calculated Properties
JChem
Acid pKa
16.695744
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.33657387
LogD (pH = 7.4)
0.3365741
Log P
0.3365741
Molar Refractivity
30.8888
Polarizability
12.265093
Polar Surface Area
43.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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