Molecule

ID:37405

General Information
Structure
Molecular Formula
C₁₁H₇F₂NO₂S₂
Molecular Mass
287.3055864
Exact Mass
286.98862691
Charge
0
InChI
InChI=1S/C11H7F2NO2S2/c12-10(13)16-7-3-1-6(2-4-7)5-8-9(15)14-11(17)18-8/h1-5,10H,(H,14,15,17)/b8-5+
InChIKey
AYWRWQXDWXANHC-VMPITWQZSA-N
Canonic Smiles
FC(Oc1ccc(cc1)/C=C\1/SC(=NC1=O)S)F
Isomeric Smiles
C\1(=C/c2ccc(cc2)OC(F)F)/C(=O)N=C(S1)S
Calculated Properties
JChem
Acid pKa
5.778938
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3326154
LogD (pH = 7.4)
2.4715083
Log P
3.500061
Molar Refractivity
69.1418
Polarizability
25.837524
Polar Surface Area
38.66
Rotatable Bonds
3
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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