Molecule

ID:97811

General Information
Structure
MolImage
Molecular Formula
C₇H₈FNS
Molecular Mass
157.2085232
Exact Mass
157.03614848
Charge
0
InChI
InChI=1S/C7H8FNS/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKey
ZINVZVDSYNURHM-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(c(c1)F)N
Isomeric Smiles
Nc1c(cc(cc1)SC)F
Calculated Properties
JChem
Acid pKa
19.541002
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9146911
LogD (pH = 7.4)
1.9152321
Log P
1.915239
Molar Refractivity
43.7337
Polarizability
16.012066
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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