Molecule

ID:54344

General Information
Structure
MolImage
Molecular Formula
C₉H₇NS
Molecular Mass
161.22358
Exact Mass
161.02992023
Charge
0
InChI
InChI=1S/C9H7NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h1-7H
InChIKey
QLPKTAFPRRIFQX-UHFFFAOYSA-N
Canonic Smiles
c1ccc(nc1)c1cccs1
Isomeric Smiles
n1ccccc1c1cccs1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5629346
LogD (pH = 7.4)
2.5657609
Log P
2.565797
Molar Refractivity
45.5552
Polarizability
19.07909
Polar Surface Area
12.89
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
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References
Bioactivity
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