Molecule

ID:1881

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO
Molecular Mass
87.12036
Exact Mass
87.06841391
Charge
0
InChI
InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKey
DNSISZSEWVHGLH-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)N
Isomeric Smiles
CCCC(=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
0.11
LogD (pH = 5.5)
0.11
Log P
0.11
Rotatable Bonds
2
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.51
Polar Surface Area
43.09
Polarizability
9.61
Molar Refractivity
23.69
LOG S
-0.42
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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