Molecule

ID:11241

General Information
Structure
Molecular Formula
C₁₅H₉ClF₃NOS
Molecular Mass
343.7512696
Exact Mass
343.00454725
Charge
0
InChI
InChI=1S/C15H9ClF3NOS/c16-8-14(21)20-10-3-1-2-4-12(10)22-13-6-5-9(7-11(13)20)15(17,18)19/h1-7H,8H2
InChIKey
NAQGVVKCOQMRPX-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1c2cc(ccc2Sc2c1cccc2)C(F)(F)F
Isomeric Smiles
N1(c2c(Sc3c1cccc3)ccc(C(F)(F)F)c2)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.432241
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3636765
LogD (pH = 7.4)
4.3636765
Log P
4.3636765
Molar Refractivity
81.1675
Polarizability
30.056625
Polar Surface Area
20.31
Rotatable Bonds
2
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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