Molecule

ID:52250

General Information
Structure
MolImage
Molecular Formula
C₄H₅NS
Molecular Mass
99.1542
Exact Mass
99.01427017
Charge
0
InChI
InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
InChIKey
ZOJBYZNEUISWFT-UHFFFAOYSA-N
Canonic Smiles
C=CCN=C=S
Isomeric Smiles
C(C=C)N=C=S
Calculated Properties
JChem
LogD (pH = 7.4)
1.80
LogD (pH = 5.5)
1.80
Log P
1.80
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
0.65
Polar Surface Area
12.36
Polarizability
10.43
Molar Refractivity
30.49
LOG S
-1.64
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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