Molecule

ID:54311

General Information
Structure
MolImage
Molecular Formula
C₈H₉NS
Molecular Mass
151.22876
Exact Mass
151.04557029
Charge
0
InChI
InChI=1S/C8H9NS/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKey
CJXBHFANXQMZBF-UHFFFAOYSA-N
Canonic Smiles
NC(=S)Cc1ccccc1
Isomeric Smiles
c1cccc(c1)CC(=S)N
Calculated Properties
JChem
Acid pKa
12.551881
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.6939211
LogD (pH = 7.4)
1.6939238
Log P
1.6939211
Molar Refractivity
47.1787
Polarizability
18.637932
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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