Molecule

ID:97048

General Information
Structure
Molecular Formula
C₈H₆FNS
Molecular Mass
167.2033432
Exact Mass
167.02049842
Charge
0
InChI
InChI=1S/C8H6FNS/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3
InChIKey
QVCYTKXGZLOVFA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1N=C=S)F
Isomeric Smiles
N(=C=S)c1c(ccc(c1)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6511934
LogD (pH = 7.4)
3.6511943
Log P
3.6511943
Molar Refractivity
48.3785
Polarizability
17.436926
Polar Surface Area
12.36
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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