Molecule

ID:41603

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇ClF₃NO₃S
Molecular Mass
337.7020896
Exact Mass
336.97872643
Charge
0
InChI
InChI=1S/C12H7ClF3NO3S/c1-19-11(18)9-8(2-3-21-9)20-10-7(13)4-6(5-17-10)12(14,15)16/h2-5H,1H3
InChIKey
ZMNRQFRVQOIYPF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sccc1Oc1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(c(Oc2ncc(cc2Cl)C(F)(F)F)ccs1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2485695
LogD (pH = 7.4)
4.2485695
Log P
4.2485695
Molar Refractivity
70.1491
Polarizability
26.278574
Polar Surface Area
48.42
Rotatable Bonds
5
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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