Molecule

ID:7200

General Information
Structure
MolImage
Molecular Formula
C₇H₄FNS₂
Molecular Mass
185.2417632
Exact Mass
184.97691935
Charge
0
InChI
InChI=1S/C7H4FNS2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKey
XDZVUKOOUHIRKY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)sc(n2)S
Isomeric Smiles
c1c(cc2c(c1)nc(s2)S)F
Calculated Properties
JChem
Acid pKa
6.825592
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0143206
LogD (pH = 7.4)
2.4137945
Log P
3.0336308
Molar Refractivity
44.8282
Polarizability
18.353031
Polar Surface Area
12.89
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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