Molecule

ID:91760

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NS
Molecular Mass
175.25016
Exact Mass
175.04557029
Charge
0
InChI
InChI=1S/C10H9NS/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7H,11H2
InChIKey
YUTPSMJOCLLMBK-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1cccs1
Isomeric Smiles
s1cccc1c1cc(ccc1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5541916
LogD (pH = 7.4)
2.5685077
Log P
2.5686932
Molar Refractivity
52.7845
Polarizability
21.11979
Polar Surface Area
26.02
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
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Molecule Details
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References
Bioactivity
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