Molecule
ID:41540
General Information
Molecular Formula
C₁₁H₆FNS
Molecular Mass
203.2354432
Exact Mass
203.02049842
Charge
0
InChI
InChI=1S/C11H6FNS/c12-11-2-1-8(5-10(11)6-13)9-3-4-14-7-9/h1-5,7H
InChIKey
XSOGENOBVLTYCQ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(ccc1F)c1cscc1
Isomeric Smiles
c1cscc1c1cc(c(cc1)F)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3997114
LogD (pH = 7.4)
3.3997114
Log P
3.3997114
Molar Refractivity
54.238
Polarizability
21.399761
Polar Surface Area
23.79
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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