Molecule

ID:56800

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂OS
Molecular Mass
245.12504
Exact Mass
243.95164117
Charge
0
InChI
InChI=1S/C10H6Cl2OS/c1-5-2-3-6-7(4-5)14-9(8(6)11)10(12)13/h2-4H,1H3
InChIKey
UHRYEWIAYLVOIT-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)sc(c2Cl)C(=O)Cl
Isomeric Smiles
c1(sc2c(c1Cl)ccc(c2)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2900887
LogD (pH = 7.4)
4.2900887
Log P
4.2900887
Molar Refractivity
60.1429
Polarizability
23.949324
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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