Molecule

ID:102730

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO₂Se
Molecular Mass
196.10634
Exact Mass
196.9954996
Charge
0
InChI
InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKey
RJFAYQIBOAGBLC-UHFFFAOYSA-N
Canonic Smiles
C[Se]CCC(C(=O)O)N
Isomeric Smiles
[Se](CCC(N)C(=O)O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-3.30
LogD (pH = 5.5)
-3.30
Log P
-3.30
Rotatable Bonds
4
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
2.47
Polar Surface Area
63.32
Polarizability
14.93
Molar Refractivity
42.91
LOG S
0.73
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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