Molecule

ID:59618

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁F₂NO₃S
Molecular Mass
275.2717464
Exact Mass
275.04277066
Charge
0
InChI
InChI=1S/C11H11F2NO3S/c12-11(13)17-7-3-1-2-6(4-7)9-14-8(5-18-9)10(15)16/h1-4,8-9,11,14H,5H2,(H,15,16)/t8-,9?/m1/s1
InChIKey
MKELJKCVNKLGPM-VEDVMXKPSA-N
Canonic Smiles
FC(Oc1cccc(c1)C1SC[C@@H](N1)C(=O)O)F
Isomeric Smiles
N1[C@@H](C(=O)O)CSC1c1cc(OC(F)F)ccc1
Calculated Properties
JChem
Acid pKa
2.797593
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.24295013
LogD (pH = 7.4)
-0.48183167
Log P
0.2644842
Molar Refractivity
61.7435
Polarizability
24.196932
Polar Surface Area
58.56
Rotatable Bonds
4
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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