Molecule

ID:113742

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NS
Molecular Mass
177.26604
Exact Mass
177.06122036
Charge
0
InChI
InChI=1S/C10H11NS/c1-9-3-5-10(6-4-9)12-8-2-7-11/h3-6H,2,8H2,1H3
InChIKey
UAYGYWCMHLUBCP-UHFFFAOYSA-N
Canonic Smiles
N#CCCSc1ccc(cc1)C
Isomeric Smiles
N#CCCSc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7840512
LogD (pH = 7.4)
2.7840512
Log P
2.7840512
Molar Refractivity
53.6706
Polarizability
20.514164
Polar Surface Area
23.79
Rotatable Bonds
3
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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