Molecule

ID:10215

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅F₃N₂O₂S
Molecular Mass
308.3199096
Exact Mass
308.08063339
Charge
0
InChI
InChI=1S/C12H15F3N2O2S/c13-12(14,15)20(18,19)11-3-1-2-10(8-11)17-9-4-6-16-7-5-9/h1-3,8-9,16-17H,4-7H2
InChIKey
ROFHAFYHOWVRTC-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(C(F)(F)F)c1cccc(c1)NC1CCNCC1
Isomeric Smiles
c1cc(cc(c1)NC1CCNCC1)S(=O)(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
19.4714
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.1656853
LogD (pH = 7.4)
-0.28731355
Log P
2.0385013
Molar Refractivity
70.2418
Polarizability
26.83069
Polar Surface Area
58.2
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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