Molecule

ID:96075

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₀Cl₂FN₃O₃S
Molecular Mass
450.2704032
Exact Mass
448.98039578
Charge
0
InChI
InChI=1S/C19H10Cl2FN3O3S/c1-9-16(18(24-28-9)17-12(21)3-2-4-13(17)22)19-23-14(8-29-19)10-5-6-11(20)15(7-10)25(26)27/h2-8H,1H3
InChIKey
CYFILRAAOAOJTC-UHFFFAOYSA-N
Canonic Smiles
Cc1onc(c1c1scc(n1)c1ccc(c(c1)[N+](=O)[O-])Cl)c1c(F)cccc1Cl
Isomeric Smiles
n1c(c2c(onc2c2c(cccc2Cl)F)C)scc1c1ccc(c(c1)[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
6.5778313
LogD (pH = 7.4)
6.577842
Log P
6.577842
Molar Refractivity
119.6388
Polarizability
43.41783
Polar Surface Area
84.74
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
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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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