Molecule

ID:115975

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂F₂N₂OS
Molecular Mass
270.2982864
Exact Mass
270.06384045
Charge
0
InChI
InChI=1S/C12H12F2N2OS/c13-7-5-9(14)11-10(6-7)18-12(16-11)17-8-1-3-15-4-2-8/h5-6,8,15H,1-4H2
InChIKey
KBLUNSORIJKFNU-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c2c(c1)sc(n2)OC1CCNCC1
Isomeric Smiles
c1(nc2c(s1)cc(cc2F)F)OC1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.63817644
LogD (pH = 7.4)
0.20624255
Log P
2.5692127
Molar Refractivity
63.6544
Polarizability
25.712122
Polar Surface Area
34.15
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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