Molecule

ID:27693

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅FN₂O₂S₂
Molecular Mass
362.4416032
Exact Mass
362.05589795
Charge
0
InChI
InChI=1S/C17H15FN2O2S2/c1-12-2-3-13-10-14(18)4-9-17(13)20(12)24(21,22)16-7-5-15(6-8-16)19-11-23/h4-10,12H,2-3H2,1H3
InChIKey
IWRWMQMJLHPEIJ-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)N1C(C)CCc2c1ccc(c2)F
Isomeric Smiles
S(=O)(=O)(N1c2c(cc(cc2)F)CCC1C)c1ccc(N=C=S)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.750146
LogD (pH = 7.4)
4.7501464
Log P
4.7501464
Molar Refractivity
97.3956
Polarizability
37.180984
Polar Surface Area
49.74
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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