Molecule

ID:65345

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₂S
Molecular Mass
147.19546
Exact Mass
147.03539953
Charge
0
InChI
InChI=1S/C5H9NO2S/c7-9(8)3-5(4-9)1-2-6-5/h6H,1-4H2
InChIKey
MOHSPTRYPOIDCV-UHFFFAOYSA-N
Canonic Smiles
O=S1(=O)CC2(C1)CCN2
Isomeric Smiles
C1C2(CS1(=O)=O)NCC2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.088758
LogD (pH = 7.4)
-2.3560648
Log P
-1.6605511
Molar Refractivity
32.7514
Polarizability
14.238748
Polar Surface Area
46.17
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
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References
Bioactivity
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