Molecule

ID:9740

General Information
Structure
Molecular Formula
C₈H₇NS
Molecular Mass
149.21288
Exact Mass
149.02992023
Charge
0
InChI
InChI=1S/C8H7NS/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
InChIKey
JYKYYPPZLPVIBY-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccccc1C
Isomeric Smiles
c1ccc(c(c1)N=C=S)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5084903
LogD (pH = 7.4)
3.5084925
Log P
3.5084925
Molar Refractivity
48.1621
Polarizability
17.829044
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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