Molecule

ID:99638

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅FN₂O₂S
Molecular Mass
294.3445032
Exact Mass
294.08382695
Charge
0
InChI
InChI=1S/C14H15FN2O2S/c1-10-7-12(4-5-13(10)15)20(18,19)14(8-16)11-3-2-6-17-9-11/h2-7,9,14H,8,16H2,1H3
InChIKey
ORNYWTMBOKCFEF-UHFFFAOYSA-N
Canonic Smiles
NCC(S(=O)(=O)c1ccc(c(c1)C)F)c1cccnc1
Isomeric Smiles
S(=O)(=O)(c1ccc(c(c1)C)F)C(c1cccnc1)CN
Calculated Properties
JChem
Acid pKa
15.303095
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.7105791
LogD (pH = 7.4)
0.97827244
Log P
1.54364
Molar Refractivity
75.0221
Polarizability
29.80983
Polar Surface Area
73.05
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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