Molecule

ID:97728

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃FN₂O₂S
Molecular Mass
256.2965232
Exact Mass
256.06817689
Charge
0
InChI
InChI=1S/C11H13FN2O2S/c1-2-16-10(15)7-13-11(17)14-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H2,13,14,17)
InChIKey
YQFPVIBQSGHPKU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNC(=S)Nc1ccc(cc1)F
Isomeric Smiles
N(c1ccc(cc1)F)C(=S)NCC(=O)OCC
Calculated Properties
JChem
Acid pKa
9.412841
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
2.1142921
LogD (pH = 7.4)
2.1103566
Log P
2.1143436
Molar Refractivity
68.304
Polarizability
25.689577
Polar Surface Area
50.36
Rotatable Bonds
5
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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