Molecule

ID:68166

General Information
Structure
Molecular Formula
C₅H₉NO
Molecular Mass
99.13106
Exact Mass
99.06841391
Charge
0
InChI
InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChIKey
SECXISVLQFMRJM-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN1C
Isomeric Smiles
N1(C(=O)CCC1)C
Calculated Properties
JChem
LogD (pH = 7.4)
-0.36
LogD (pH = 5.5)
-0.36
Log P
-0.36
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.70
Polar Surface Area
20.31
Polarizability
10.70
Molar Refractivity
27.15
LOG S
0.06
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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