Molecule

ID:89727

General Information
Structure
MolImage
Molecular Formula
C₈H₄N₂S
Molecular Mass
160.19576
Exact Mass
160.00951914
Charge
0
InChI
InChI=1S/C8H4N2S/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H
InChIKey
DZFKAXLNKZXNHD-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)C#N
Isomeric Smiles
N(=C=S)c1ccc(cc1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8511662
LogD (pH = 7.4)
2.8511672
Log P
2.8511672
Molar Refractivity
48.8425
Polarizability
17.862232
Polar Surface Area
36.15
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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