Molecule

ID:95345

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇ClF₃NO₃S
Molecular Mass
337.7020896
Exact Mass
336.97872643
Charge
0
InChI
InChI=1S/C12H7ClF3NO3S/c13-11-10(2-1-7-17-11)20-21(18,19)9-5-3-8(4-6-9)12(14,15)16/h1-7H
InChIKey
PYUGRIDNVVIKFJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1OS(=O)(=O)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C(F)(F)F)Oc1cccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6744683
LogD (pH = 7.4)
3.6744697
Log P
3.6744697
Molar Refractivity
70.6233
Polarizability
27.164911
Polar Surface Area
56.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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