Molecule

ID:12440

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClOS₂
Molecular Mass
244.76086
Exact Mass
243.97833459
Charge
0
InChI
InChI=1S/C10H9ClOS2/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5H,3-4,6H2
InChIKey
VBXUCKQKYMNERX-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1ccc2c(c1)SCCS2
Isomeric Smiles
S1CCSc2c1ccc(c2)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.293247
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6337757
LogD (pH = 7.4)
2.6337757
Log P
2.6337757
Molar Refractivity
65.1692
Polarizability
24.935894
Polar Surface Area
17.07
Rotatable Bonds
2
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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