Molecule

ID:86309

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClN₂S
Molecular Mass
194.64082
Exact Mass
193.97054679
Charge
0
InChI
InChI=1S/C8H3ClN2S/c9-7-1-2-12-8(7)3-6(4-10)5-11/h1-3H
InChIKey
MEGKBXXQCQVBAI-UHFFFAOYSA-N
Canonic Smiles
N#CC(=Cc1sccc1Cl)C#N
Isomeric Smiles
s1c(c(cc1)Cl)C=C(C#N)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6894865
LogD (pH = 7.4)
2.6894865
Log P
2.6894865
Molar Refractivity
48.7875
Polarizability
17.818861
Polar Surface Area
47.58
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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