Molecule

ID:111531

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO
Molecular Mass
101.14694
Exact Mass
101.08406398
Charge
0
InChI
InChI=1S/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)
InChIKey
IPWFJLQDVFKJDU-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)N
Isomeric Smiles
CCCCC(=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
0.56
LogD (pH = 5.5)
0.56
Log P
0.56
Rotatable Bonds
3
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.38
Polar Surface Area
43.09
Polarizability
11.60
Molar Refractivity
28.29
LOG S
-0.96
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
Molecule Details
References
Bioactivity
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