Molecule

ID:41077

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁Cl₂NOS
Molecular Mass
336.23564
Exact Mass
334.99384034
Charge
0
InChI
InChI=1S/C16H11Cl2NOS/c1-19-14-8-3-2-5-10(14)11(9-20)16(19)21-15-12(17)6-4-7-13(15)18/h2-9H,1H3
InChIKey
IKLBAQSRPAYWPC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Sc2c(Cl)cccc2Cl)n(c2c1cccc2)C
Isomeric Smiles
c1(c(c2c(n1C)cccc2)C=O)Sc1c(Cl)cccc1Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.494316
LogD (pH = 7.4)
5.494316
Log P
5.494316
Molar Refractivity
90.1722
Polarizability
35.58716
Polar Surface Area
22.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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