Molecule

ID:52165

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NS
Molecular Mass
185.24498
Exact Mass
185.02992023
Charge
0
InChI
InChI=1S/C11H7NS/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H
InChIKey
JBDOSUUXMYMWQH-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1cccc2c1cccc2
Isomeric Smiles
c1(cccc2ccccc12)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.984547
LogD (pH = 7.4)
3.9845479
Log P
3.9845479
Molar Refractivity
59.5711
Polarizability
23.696423
Polar Surface Area
12.36
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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