Molecule

ID:58037

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃FOS
Molecular Mass
260.3265232
Exact Mass
260.06711426
Charge
0
InChI
InChI=1S/C15H13FOS/c1-10-3-6-13(7-4-10)18-15-8-5-12(11(2)17)9-14(15)16/h3-9H,1-2H3
InChIKey
DRDBPTHFDSAQOR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Sc1ccc(cc1F)C(=O)C
Isomeric Smiles
c1(c(cc(C(=O)C)cc1)F)Sc1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
15.866317
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3757663
LogD (pH = 7.4)
4.3757663
Log P
4.3757663
Molar Refractivity
74.4025
Polarizability
28.107958
Polar Surface Area
17.07
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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