Molecule

ID:26976

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClFNS
Molecular Mass
227.6856832
Exact Mass
226.99717613
Charge
0
InChI
InChI=1S/C10H7ClFNS/c11-5-9-6-14-10(13-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKey
HJJPMUWLLCPTRX-UHFFFAOYSA-N
Canonic Smiles
ClCc1csc(n1)c1ccc(cc1)F
Isomeric Smiles
n1c(scc1CCl)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4681106
LogD (pH = 7.4)
3.4682233
Log P
3.4682248
Molar Refractivity
65.9291
Polarizability
21.733208
Polar Surface Area
12.89
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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