Molecule

ID:7229

General Information
Structure
MolImage
Molecular Formula
C₈H₉FN₂S
Molecular Mass
184.2338632
Exact Mass
184.04704752
Charge
0
InChI
InChI=1S/C8H9FN2S/c1-5-2-3-6(9)4-7(5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
InChIKey
NZTMKTPFNGHTJG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1NC(=S)N)F
Isomeric Smiles
N(C(=S)N)c1cc(ccc1C)F
Calculated Properties
JChem
Acid pKa
9.34272
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
2.4233444
LogD (pH = 7.4)
2.4187233
Log P
2.4234035
Molar Refractivity
52.8462
Polarizability
19.288216
Polar Surface Area
38.05
Rotatable Bonds
1
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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