Molecule

ID:87117

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO
Molecular Mass
99.13106
Exact Mass
99.06841391
Charge
0
InChI
InChI=1S/C5H9NO/c7-6-5-3-1-2-4-5/h7H,1-4H2
InChIKey
YGNXYFLJZILPEK-UHFFFAOYSA-N
Canonic Smiles
ON=C1CCCC1
Isomeric Smiles
N(=C1CCCC1)O
Calculated Properties
JChem
Acid pKa
11.759406
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0518466
LogD (pH = 7.4)
1.0530707
Log P
1.0531054
Molar Refractivity
27.4681
Polarizability
10.63469
Polar Surface Area
32.59
Rotatable Bonds
0
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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