Molecule

ID:71407

General Information
Structure
MolImage
Molecular Formula
C₂H₇NOS
Molecular Mass
93.14808
Exact Mass
93.02483485
Charge
0
InChI
InChI=1S/C2H7NOS/c1-5(2,3)4/h3H,1-2H3
InChIKey
DTGSFFWQUULHIF-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=N)C
Isomeric Smiles
S(=N)(=O)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.292405
LogD (pH = 7.4)
-1.288362
Log P
-1.2883103
Molar Refractivity
21.6547
Polarizability
9.269095
Polar Surface Area
40.92
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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