Molecule
ID:121918
General Information
Molecular Formula
C₉H₁₀ClFS
Molecular Mass
204.6921032
Exact Mass
204.01757722
Charge
0
InChI
InChI=1S/C9H10ClFS/c10-4-5-12-7-8-2-1-3-9(11)6-8/h1-3,6H,4-5,7H2
InChIKey
FCSUFAFPKWUAPS-UHFFFAOYSA-N
Canonic Smiles
ClCCSCc1cccc(c1)F
Isomeric Smiles
c1c(F)cccc1CSCCCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.391781
LogD (pH = 7.4)
3.391781
Log P
3.391781
Molar Refractivity
53.3164
Polarizability
20.401588
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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