Molecule

ID:65143

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₃S
Molecular Mass
218.2386696
Exact Mass
218.03770595
Charge
0
InChI
InChI=1S/C10H9F3S/c1-8-2-4-9(5-3-8)14-7-6-10(11,12)13/h2-7H,1H3/b7-6+
InChIKey
XUOIOTQFOOCXAQ-VOTSOKGWSA-N
Canonic Smiles
FC(/C=C/Sc1ccc(cc1)C)(F)F
Isomeric Smiles
C(=C\C(F)(F)F)/Sc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.982582
LogD (pH = 7.4)
3.982582
Log P
3.982582
Molar Refractivity
54.3973
Polarizability
19.621803
Polar Surface Area
0.0
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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