Molecule

ID:92609

General Information
Structure
MolImage
Molecular Formula
C₆H₄S
Molecular Mass
108.16096
Exact Mass
108.00337113
Charge
0
InChI
InChI=1S/C6H4S/c1-2-6-4-3-5-7-6/h1,3-5H
InChIKey
LWISLHRIEATKTM-UHFFFAOYSA-N
Canonic Smiles
C#Cc1cccs1
Isomeric Smiles
s1cccc1C#C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0369625
LogD (pH = 7.4)
2.0369625
Log P
2.0369625
Molar Refractivity
28.1202
Polarizability
11.556509
Polar Surface Area
0.0
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
No Data Available
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Molecule Details
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References
Bioactivity
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