Molecule

ID:89796

General Information
Structure
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Molecular Formula
C₃H₉NO₃S
Molecular Mass
139.17346
Exact Mass
139.03031415
Charge
0
InChI
InChI=1S/C3H9N.O3S/c2*1-4(2)3/h1-3H3;
InChIKey
DXASQZJWWGZNSF-UHFFFAOYSA-N
Canonic Smiles
CN(C)C.O=S(=O)=O
Isomeric Smiles
N(C)(C)C.S(=O)(=O)=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-3.208248
LogD (pH = 7.4)
-1.966536
Log P
0.19016947
Molar Refractivity
19.9881
Polarizability
7.800994
Polar Surface Area
3.24
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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