Molecule

ID:8851

General Information
Structure
MolImage
Molecular Formula
C₈H₇NS
Molecular Mass
149.21288
Exact Mass
149.02992023
Charge
0
InChI
InChI=1S/C8H7NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2
InChIKey
QMJWPWCKRKHUNY-UHFFFAOYSA-N
Canonic Smiles
N#CCSc1ccccc1
Isomeric Smiles
c1(ccccc1)SCC#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8260612
LogD (pH = 7.4)
1.8260612
Log P
1.8260612
Molar Refractivity
44.0284
Polarizability
16.905497
Polar Surface Area
23.79
Rotatable Bonds
2
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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