Molecule
ID:86083
General Information
Molecular Formula
C₆H₅NS₂
Molecular Mass
155.2406
Exact Mass
154.98634117
Charge
0
InChI
InChI=1S/C6H5NS2/c1-8-6-3-2-5(4-7)9-6/h2-3H,1H3
InChIKey
BPVUDMPPURTXDX-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(s1)C#N
Isomeric Smiles
s1c(ccc1C#N)SC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5364366
LogD (pH = 7.4)
2.5364366
Log P
2.5364366
Molar Refractivity
40.5883
Polarizability
15.735573
Polar Surface Area
23.79
Rotatable Bonds
1
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
No Data Available
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Related Proteins
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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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