Molecule

ID:96712

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇ClF₃NOS
Molecular Mass
317.7139896
Exact Mass
316.98889719
Charge
0
InChI
InChI=1S/C13H7ClF3NOS/c14-11-6-8(4-5-18-11)12(19)20-10-3-1-2-9(7-10)13(15,16)17/h1-7H
InChIKey
SYPOIXKZUCXNIK-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)C(=O)Sc1cccc(c1)C(F)(F)F
Isomeric Smiles
S(c1cccc(c1)C(F)(F)F)C(=O)c1cc(ncc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5936327
LogD (pH = 7.4)
4.5936337
Log P
4.5936337
Molar Refractivity
73.9871
Polarizability
27.087078
Polar Surface Area
29.96
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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