Molecule

ID:98057

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁F₃N₂O₄S
Molecular Mass
288.2441496
Exact Mass
288.0391625
Charge
0
InChI
InChI=1S/C8H11F3N2O4S/c1-17-5(14)2-12-6(15)4(3-18)13-7(16)8(9,10)11/h4,18H,2-3H2,1H3,(H,12,15)(H,13,16)/t4-/m1/s1
InChIKey
CXZMJKWCYBWNTN-SCSAIBSYSA-N
Canonic Smiles
COC(=O)CNC(=O)[C@H](NC(=O)C(F)(F)F)CS
Isomeric Smiles
N(C(=O)C(F)(F)F)[C@H](CS)C(=O)NCC(=O)OC
Calculated Properties
JChem
Acid pKa
5.118474
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.96544296
LogD (pH = 7.4)
-1.4651842
Log P
-0.5383733
Molar Refractivity
56.2502
Polarizability
21.550829
Polar Surface Area
84.5
Rotatable Bonds
7
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
References
Bioactivity
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