Molecule

ID:44187

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂FNS
Molecular Mass
233.3044832
Exact Mass
233.06744861
Charge
0
InChI
InChI=1S/C13H12FNS/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9,15H2
InChIKey
BWAMEPIGBSGVCX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)SCc1ccc(cc1)F
Isomeric Smiles
S(c1ccc(N)cc1)Cc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.506708
LogD (pH = 7.4)
3.5355535
Log P
3.535934
Molar Refractivity
68.3955
Polarizability
25.591593
Polar Surface Area
26.02
Rotatable Bonds
3
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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