Molecule

ID:69679

General Information
Structure
MolImage
Molecular Formula
C₅H₇NS
Molecular Mass
113.18078
Exact Mass
113.02992023
Charge
0
InChI
InChI=1S/C5H7NS/c1-4-3-6-5(2)7-4/h3H,1-2H3
InChIKey
WVUHHPQQQLBMOE-UHFFFAOYSA-N
Canonic Smiles
Cc1ncc(s1)C
Isomeric Smiles
s1c(ncc1C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3840108
LogD (pH = 7.4)
1.4007457
Log P
1.4009641
Molar Refractivity
30.7634
Polarizability
11.630179
Polar Surface Area
12.89
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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