Molecule

ID:94008

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂OS
Molecular Mass
236.2653632
Exact Mass
236.04196214
Charge
0
InChI
InChI=1S/C11H9FN2OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(16-9)11(14)15/h1-5H,13H2,(H2,14,15)
InChIKey
VRUAXQODZDRLMI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1cc(c(s1)C(=O)N)N
Isomeric Smiles
s1c(c(cc1c1ccc(cc1)F)N)C(=O)N
Calculated Properties
JChem
Acid pKa
15.34895
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3444748
LogD (pH = 7.4)
2.344475
Log P
2.344475
Molar Refractivity
61.8634
Polarizability
23.570805
Polar Surface Area
69.11
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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