Molecule

ID:87013

General Information
Structure
MolImage
Molecular Formula
C₈H₇NS
Molecular Mass
149.21288
Exact Mass
149.02992023
Charge
0
InChI
InChI=1S/C8H7NS/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3
InChIKey
PXZSANDJGNKIIA-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1SC
Isomeric Smiles
N#Cc1ccccc1SC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.457559
LogD (pH = 7.4)
2.457559
Log P
2.457559
Molar Refractivity
44.5385
Polarizability
17.058382
Polar Surface Area
23.79
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
No Data Available
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Molecule Details
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References
Bioactivity
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