Molecule

ID:96557

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClFNO₂S
Molecular Mass
273.7110632
Exact Mass
273.00265543
Charge
0
InChI
InChI=1S/C11H9ClFNO2S/c12-6-11(15)16-14-9-3-4-17-10-2-1-7(13)5-8(9)10/h1-2,5H,3-4,6H2
InChIKey
OJLLIPDICAQXGQ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc2/C(=N/OC(=O)CCl)/CCSc2cc1
Isomeric Smiles
N(=C\1/c2cc(ccc2SCC1)F)\OC(=O)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8260903
LogD (pH = 7.4)
2.8260927
Log P
2.8260927
Molar Refractivity
65.352
Polarizability
24.943945
Polar Surface Area
38.66
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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