Molecule

ID:89576

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO
Molecular Mass
99.13106
Exact Mass
99.06841391
Charge
0
InChI
InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
InChIKey
XUWHAWMETYGRKB-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCN1
Isomeric Smiles
N1CCCCC1=O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.14
LogD (pH = 5.5)
-0.14
Log P
-0.14
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
14.89
Polar Surface Area
29.10
Polarizability
10.66
Molar Refractivity
26.86
LOG S
0.19
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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