Molecule
ID:86880
General Information
Molecular Formula
C₁₆H₁₀Cl₂N₂O₂S
Molecular Mass
365.2338
Exact Mass
363.98400393
Charge
0
InChI
InChI=1S/C16H10Cl2N2O2S/c17-14-6-10(7-15(18)20-14)16-19-11(8-23-16)9-1-2-12-13(5-9)22-4-3-21-12/h1-2,5-8H,3-4H2
InChIKey
KBAHJELNHFAREZ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)c1scc(n1)c1ccc2c(c1)OCCO2
Isomeric Smiles
n1c(c2cc(nc(c2)Cl)Cl)scc1c1ccc2c(c1)OCCO2
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.63375
LogD (pH = 7.4)
4.6337876
Log P
4.633788
Molar Refractivity
101.6649
Polarizability
36.62103
Polar Surface Area
44.24
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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