Molecule

ID:14568

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄FNO₄S
Molecular Mass
287.3072632
Exact Mass
287.06275715
Charge
0
InChI
InChI=1S/C12H14FNO4S/c13-9-4-6-10(7-5-9)19(17,18)14-8-2-1-3-11(14)12(15)16/h4-7,11H,1-3,8H2,(H,15,16)
InChIKey
OEWGZEWXAWCRCL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCCN1S(=O)(=O)c1ccc(cc1)F
Isomeric Smiles
N1(C(CCCC1)C(=O)O)S(=O)(=O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.045553
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.71124953
LogD (pH = 7.4)
-1.7592921
Log P
1.7096363
Molar Refractivity
66.1976
Polarizability
26.271343
Polar Surface Area
74.68
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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