Molecule

ID:65441

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₂
Molecular Mass
115.13046
Exact Mass
115.06332853
Charge
0
InChI
InChI=1S/C5H9NO2/c1-5(2)3-8-6-4(5)7/h3H2,1-2H3,(H,6,7)
InChIKey
UUXRXRHXOZHHJV-UHFFFAOYSA-N
Canonic Smiles
O=C1NOCC1(C)C
Isomeric Smiles
C1(=O)C(CON1)(C)C
Calculated Properties
JChem
Acid pKa
7.040397
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.3709206
LogD (pH = 7.4)
-0.034482457
Log P
0.38183302
Molar Refractivity
27.9286
Polarizability
11.166473
Polar Surface Area
38.33
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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