Molecule

ID:96505

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClF₂S
Molecular Mass
270.7253664
Exact Mass
270.00815541
Charge
0
InChI
InChI=1S/C13H9ClF2S/c14-10-1-3-13(4-2-10)17-8-9-5-11(15)7-12(16)6-9/h1-7H,8H2
InChIKey
ZQWDUEYOFCPZLV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)SCc1cc(F)cc(c1)F
Isomeric Smiles
S(c1ccc(cc1)Cl)Cc1cc(cc(c1)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.1116066
LogD (pH = 7.4)
5.1116066
Log P
5.1116066
Molar Refractivity
68.7163
Polarizability
26.019058
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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