Molecule

ID:95665

General Information
Structure
MolImage
Molecular Formula
C₉H₈FNS
Molecular Mass
181.2299232
Exact Mass
181.03614848
Charge
0
InChI
InChI=1S/C9H8FNS/c10-8-4-1-2-5-9(8)12-7-3-6-11/h1-2,4-5H,3,7H2
InChIKey
WZFJCXSDORHWOA-UHFFFAOYSA-N
Canonic Smiles
N#CCCSc1ccccc1F
Isomeric Smiles
N#CCCSc1c(cccc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4133317
LogD (pH = 7.4)
2.4133317
Log P
2.4133317
Molar Refractivity
48.8458
Polarizability
18.406313
Polar Surface Area
23.79
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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