Molecule

ID:94214

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀F₃NO₃S
Molecular Mass
329.2943096
Exact Mass
329.03334885
Charge
0
InChI
InChI=1S/C14H10F3NO3S/c1-9-8-10(18(19)20)2-7-13(9)21-11-3-5-12(6-4-11)22-14(15,16)17/h2-8H,1H3
InChIKey
OQKGDRQCMCOODH-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(ccc1Oc1ccc(cc1)SC(F)(F)F)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(c(cc1)Oc1ccc(cc1)SC(F)(F)F)C)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.8956647
LogD (pH = 7.4)
5.8956647
Log P
5.8956647
Molar Refractivity
77.6502
Polarizability
28.53271
Polar Surface Area
55.05
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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