Molecule

ID:78056

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₂
Molecular Mass
115.13046
Exact Mass
115.06332853
Charge
0
InChI
InChI=1S/C5H9NO2/c6-5(4(7)8)2-1-3-5/h1-3,6H2,(H,7,8)
InChIKey
FVTVMQPGKVHSEY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(N)CCC1
Isomeric Smiles
OC(=O)C1(CCC1)N
Calculated Properties
JChem
Acid pKa
2.3586605
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.2716496
LogD (pH = 7.4)
-2.2740104
Log P
-2.271544
Molar Refractivity
27.8554
Polarizability
11.294152
Polar Surface Area
63.32
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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