Molecule

ID:64745

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO
Molecular Mass
87.12036
Exact Mass
87.06841391
Charge
0
InChI
InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
InChIKey
WFKAJVHLWXSISD-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)N)C
Isomeric Smiles
CC(C(=O)N)C
Calculated Properties
JChem
Acid pKa
16.913713
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.21323375
LogD (pH = 7.4)
0.2132338
Log P
0.2132338
Molar Refractivity
23.6673
Polarizability
9.313932
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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