Molecule

ID:26437

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FNO₂S
Molecular Mass
279.3298632
Exact Mass
279.07292791
Charge
0
InChI
InChI=1S/C14H14FNO2S/c1-8(2)18-14(17)12-11(7-19-13(12)16)9-3-5-10(15)6-4-9/h3-8H,16H2,1-2H3
InChIKey
PCAPPQBCYILVTE-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)c1c(N)scc1c1ccc(cc1)F)C
Isomeric Smiles
c1(C(=O)OC(C)C)c(csc1N)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
17.593592
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.307545
LogD (pH = 7.4)
4.307545
Log P
4.307545
Molar Refractivity
73.5694
Polarizability
28.839962
Polar Surface Area
52.32
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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