Molecule

ID:88919

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO
Molecular Mass
99.13106
Exact Mass
99.06841391
Charge
0
InChI
InChI=1S/C5H9NO/c7-5-1-3-6-4-2-5/h6H,1-4H2
InChIKey
VRJHQPZVIGNGMX-UHFFFAOYSA-N
Canonic Smiles
O=C1CCNCC1
Isomeric Smiles
N1CCC(=O)CC1
Calculated Properties
JChem
Acid pKa
17.855536
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.751681
LogD (pH = 7.4)
-1.0187186
Log P
-0.20991515
Molar Refractivity
27.1688
Polarizability
10.811152
Polar Surface Area
29.1
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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