Molecule

ID:41798

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₂S
Molecular Mass
136.17436
Exact Mass
136.00951914
Charge
0
InChI
InChI=1S/C6H4N2S/c9-5-8-6-2-1-3-7-4-6/h1-4H
InChIKey
VMSZFBSYWXMXRF-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1cccnc1
Isomeric Smiles
C(=Nc1cnccc1)=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7723553
LogD (pH = 7.4)
1.7773347
Log P
1.7773986
Molar Refractivity
40.964
Polarizability
15.131362
Polar Surface Area
25.25
Rotatable Bonds
1
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
References
Bioactivity
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