Molecule

ID:97387

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂FNO₃S
Molecular Mass
305.3240832
Exact Mass
305.05219247
Charge
0
InChI
InChI=1S/C15H12FNO3S/c1-11-6-8-12(9-7-11)21(18,19)20-17-10-14(16)13-4-2-3-5-15(13)17/h2-10H,1H3
InChIKey
PFERCYPIMUCJLG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)On1cc(c2c1cccc2)F
Isomeric Smiles
n1(c2ccccc2c(c1)F)OS(=O)(=O)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.808284
LogD (pH = 7.4)
3.808284
Log P
3.808284
Molar Refractivity
78.4789
Polarizability
31.362875
Polar Surface Area
48.3
Rotatable Bonds
3
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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