Molecule

ID:9404

General Information
Structure
MolImage
Molecular Formula
C₈H₇NS
Molecular Mass
149.21288
Exact Mass
149.02992023
Charge
0
InChI
InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey
MDKCFLQDBWCQCV-UHFFFAOYSA-N
Canonic Smiles
S=C=NCc1ccccc1
Isomeric Smiles
c1cccc(c1)CN=C=S
Calculated Properties
JChem
LogD (pH = 7.4)
2.79
LogD (pH = 5.5)
2.79
Log P
2.79
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
0.34
Polar Surface Area
12.36
Polarizability
16.16
Molar Refractivity
45.94
LOG S
-2.76
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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