Molecule

ID:9574

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClFNS
Molecular Mass
219.7067432
Exact Mass
219.02847626
Charge
0
InChI
InChI=1S/C9H11ClFNS/c10-8-2-1-3-9(11)7(8)6-13-5-4-12/h1-3H,4-6,12H2
InChIKey
KNNHPOGBBNRNDH-UHFFFAOYSA-N
Canonic Smiles
NCCSCc1c(F)cccc1Cl
Isomeric Smiles
c1(cccc(c1CSCCN)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.47071877
LogD (pH = 7.4)
0.29873604
Log P
2.534352
Molar Refractivity
56.7277
Polarizability
21.983683
Polar Surface Area
26.02
Rotatable Bonds
4
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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