Molecule

ID:86697

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₂Cl₂N₂OS
Molecular Mass
399.29308
Exact Mass
398.00473937
Charge
0
InChI
InChI=1S/C20H12Cl2N2OS/c21-15-6-8-16(9-7-15)25-19-11-14(10-18(22)24-19)20-23-17(12-26-20)13-4-2-1-3-5-13/h1-12H
InChIKey
CSKAQSJYJQKNDV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Oc1nc(Cl)cc(c1)c1scc(n1)c1ccccc1
Isomeric Smiles
n1c(c2cc(nc(c2)Oc2ccc(cc2)Cl)Cl)scc1c1ccccc1
Calculated Properties
JChem
Molar Refractivity
116.2005
Polarizability
42.551838
Polar Surface Area
35.01
Rotatable Bonds
4
Lipinski's Rule of Five
false
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.9951863
LogD (pH = 7.4)
6.995223
Log P
6.9952235
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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