Molecule

ID:96565

General Information
Structure
MolImage
Molecular Formula
C₁₅H₈ClFN₂O₂S
Molecular Mass
334.7526232
Exact Mass
333.99790441
Charge
0
InChI
InChI=1S/C15H8ClFN2O2S/c16-12-6-3-10(7-14(12)19(20)21)13-8-22-15(18-13)9-1-4-11(17)5-2-9/h1-8H
InChIKey
MOSPAUAGDXXJRE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1scc(n1)c1ccc(c(c1)[N+](=O)[O-])Cl
Isomeric Smiles
n1c(c2ccc(cc2)F)scc1c1cc(c(cc1)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.376561
LogD (pH = 7.4)
5.3766146
Log P
5.3766155
Molar Refractivity
93.4781
Polarizability
32.769173
Polar Surface Area
58.71
Rotatable Bonds
3
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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