Molecule

ID:37381

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅ClFNOS₂
Molecular Mass
273.7342032
Exact Mass
272.94851169
Charge
0
InChI
InChI=1S/C10H5ClFNOS2/c11-6-2-1-3-7(12)5(6)4-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)/b8-4+
InChIKey
KBELKNAFHSPQRM-XBXARRHUSA-N
Canonic Smiles
SC1=NC(=O)/C(=C\c2c(F)cccc2Cl)/S1
Isomeric Smiles
C\1(=C/c2c(cccc2Cl)F)/C(=O)N=C(S1)S
Calculated Properties
JChem
Acid pKa
5.4465885
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1831362
LogD (pH = 7.4)
2.3924108
Log P
3.4777207
Molar Refractivity
67.6909
Polarizability
25.400097
Polar Surface Area
29.43
Rotatable Bonds
1
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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