Molecule

ID:97484

General Information
Structure
Molecular Formula
C₁₁H₁₀ClF₃N₂S
Molecular Mass
294.7237096
Exact Mass
294.02053167
Charge
0
InChI
InChI=1S/C11H9F3N2S.ClH/c12-11(13,14)8-3-1-7(2-4-8)10-16-9(5-15)6-17-10;/h1-4,6H,5,15H2;1H
InChIKey
FWELHPZJURGPIV-UHFFFAOYSA-N
Canonic Smiles
NCc1csc(n1)c1ccc(cc1)C(F)(F)F.Cl
Isomeric Smiles
n1c(c2ccc(cc2)C(F)(F)F)scc1CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.16877562
LogD (pH = 7.4)
1.8313725
Log P
2.7418976
Molar Refractivity
70.2929
Polarizability
22.820957
Polar Surface Area
38.91
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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