Molecule

ID:9666

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FN₂S
Molecular Mass
208.2552632
Exact Mass
208.04704752
Charge
0
InChI
InChI=1S/C10H9FN2S/c1-14-10-6-9(12-13-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)
InChIKey
ZDFTZMJWTJLPRE-UHFFFAOYSA-N
Canonic Smiles
CSc1[nH]nc(c1)c1ccc(cc1)F
Isomeric Smiles
c1c(n[nH]c1SC)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
13.099222
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.170598
LogD (pH = 7.4)
3.1707132
Log P
3.1707156
Molar Refractivity
56.7382
Polarizability
22.622112
Polar Surface Area
28.68
Rotatable Bonds
2
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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