Molecule

ID:8746

General Information
Structure
MolImage
Molecular Formula
C₅H₃NS
Molecular Mass
109.14902
Exact Mass
108.9986201
Charge
0
InChI
InChI=1S/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H
InChIKey
CUPOOAWTRIURFT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccs1
Isomeric Smiles
c1cc(sc1)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7422234
LogD (pH = 7.4)
1.7422234
Log P
1.7422234
Molar Refractivity
28.6695
Polarizability
10.835027
Polar Surface Area
23.79
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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