Molecule

ID:31935

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FNO₂S
Molecular Mass
279.3298632
Exact Mass
279.07292791
Charge
0
InChI
InChI=1S/C14H14FNO2S/c15-12-6-8-13(9-7-12)19(17,18)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2
InChIKey
LDSOYUMEFGOXCO-UHFFFAOYSA-N
Canonic Smiles
NCC(S(=O)(=O)c1ccc(cc1)F)c1ccccc1
Isomeric Smiles
S(=O)(=O)(C(c1ccccc1)CN)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
17.115261
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.058478
LogD (pH = 7.4)
1.6340222
Log P
2.2478912
Molar Refractivity
72.1378
Polarizability
28.923193
Polar Surface Area
60.16
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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