Molecule

ID:101961

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂S
Molecular Mass
200.25962
Exact Mass
200.04081927
Charge
0
InChI
InChI=1S/C11H8N2S/c1-8-13-11(7-14-8)10-4-2-9(6-12)3-5-10/h2-5,7H,1H3
InChIKey
FOKBMJMDQCPNJI-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)c1csc(n1)C
Isomeric Smiles
n1c(csc1C)c1ccc(C#N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6438065
LogD (pH = 7.4)
2.6442692
Log P
2.6442752
Molar Refractivity
56.1929
Polarizability
22.649805
Polar Surface Area
36.68
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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