Molecule

ID:51795

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈ClFOS
Molecular Mass
266.7184232
Exact Mass
265.99684178
Charge
0
InChI
InChI=1S/C13H8ClFOS/c14-10-1-4-12(5-2-10)17-13-6-3-11(15)7-9(13)8-16/h1-8H
InChIKey
HVKFOFPSBQPRRF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)ccc1Sc1ccc(cc1)Cl
Isomeric Smiles
c1(c(Sc2ccc(Cl)cc2)ccc(c1)F)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6212444
LogD (pH = 7.4)
4.6212444
Log P
4.6212444
Molar Refractivity
70.3473
Polarizability
26.388874
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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