Molecule

ID:112686

General Information
Structure
Molecular Formula
C₅H₇NO₂
Molecular Mass
113.11458
Exact Mass
113.04767847
Charge
0
InChI
InChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3
InChIKey
KYEACNNYFNZCST-UHFFFAOYSA-N
Canonic Smiles
CN1C(=O)CCC1=O
Isomeric Smiles
CN1C(=O)CCC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.7697955
LogD (pH = 7.4)
-0.7697955
Log P
-0.7697955
Molar Refractivity
27.1781
Polarizability
10.563849
Polar Surface Area
37.38
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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