Molecule

ID:56807

General Information
Structure
MolImage
Molecular Formula
C₁₃H₆Cl₂OS
Molecular Mass
281.15714
Exact Mass
279.95164117
Charge
0
InChI
InChI=1S/C13H6Cl2OS/c14-11-10-8-4-2-1-3-7(8)5-6-9(10)17-12(11)13(15)16/h1-6H
InChIKey
PZXYENQSPILCEN-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1sc2c(c1Cl)c1ccccc1cc2
Isomeric Smiles
c1(c(c2c(s1)ccc1c2cccc1)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.766144
LogD (pH = 7.4)
4.766144
Log P
4.766144
Molar Refractivity
71.5519
Polarizability
29.667429
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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