Molecule

ID:45134

General Information
Structure
MolImage
Molecular Formula
C₉H₄FNS
Molecular Mass
177.1981632
Exact Mass
177.00484835
Charge
0
InChI
InChI=1S/C9H4FNS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H
InChIKey
WPAXTSMSKDUDBL-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc2c(s1)ccc(c2)F
Isomeric Smiles
s1c(cc2c1ccc(c2)F)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.980508
LogD (pH = 7.4)
2.980508
Log P
2.980508
Molar Refractivity
45.1202
Polarizability
17.99357
Polar Surface Area
23.79
Rotatable Bonds
0
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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