Molecule

ID:86257

General Information
Structure
MolImage
Molecular Formula
C₁₅H₇Cl₃N₂O₂S
Molecular Mass
385.65228
Exact Mass
383.92938151
Charge
0
InChI
InChI=1S/C15H7Cl3N2O2S/c16-9-2-3-10(12(18)6-9)15-19-13(7-23-15)8-1-4-11(17)14(5-8)20(21)22/h1-7H
InChIKey
GPCHSNDKISMBNS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)c1scc(n1)c1ccc(c(c1)[N+](=O)[O-])Cl
Isomeric Smiles
n1c(c2ccc(cc2Cl)Cl)scc1c1cc(c(cc1)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.4419713
LogD (pH = 7.4)
6.4420023
Log P
6.442003
Molar Refractivity
102.8713
Polarizability
36.897606
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
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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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