Molecule

ID:101059

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂OS
Molecular Mass
216.25902
Exact Mass
216.03573389
Charge
0
InChI
InChI=1S/C11H8N2OS/c1-8-10(12-7-15)11(13-14-8)9-5-3-2-4-6-9/h2-6H,1H3
InChIKey
KNEFMNKZFBOMNG-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1c(C)onc1c1ccccc1
Isomeric Smiles
c1(c(noc1C)c1ccccc1)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5922527
LogD (pH = 7.4)
3.5922534
Log P
3.5922534
Molar Refractivity
64.4768
Polarizability
24.754164
Polar Surface Area
38.39
Rotatable Bonds
2
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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