Molecule

ID:86366

General Information
Structure
Molecular Formula
C₁₅H₁₀Cl₂N₂S
Molecular Mass
321.2243
Exact Mass
319.99417469
Charge
0
InChI
InChI=1S/C15H10Cl2N2S/c1-9-2-4-10(5-3-9)12-8-20-15(18-12)11-6-13(16)19-14(17)7-11/h2-8H,1H3
InChIKey
ZXOLFCPDAPGKCU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1csc(n1)c1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(c2cc(nc(c2)Cl)Cl)scc1c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.6340384
LogD (pH = 7.4)
5.6340766
Log P
5.634077
Molar Refractivity
95.7487
Polarizability
34.055237
Polar Surface Area
25.78
Rotatable Bonds
2
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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