Molecule

ID:97209

General Information
Structure
Molecular Formula
C₇H₇FN₂S
Molecular Mass
170.2072832
Exact Mass
170.03139745
Charge
0
InChI
InChI=1S/C7H7FN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey
WYVZQQOFMQRNPF-UHFFFAOYSA-N
Canonic Smiles
NC(=S)Nc1ccccc1F
Isomeric Smiles
N(c1c(cccc1)F)C(=S)N
Calculated Properties
JChem
Acid pKa
9.300774
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
1.9099169
LogD (pH = 7.4)
1.9048305
Log P
1.9099822
Molar Refractivity
47.805
Polarizability
17.52619
Polar Surface Area
38.05
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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