Molecule

ID:132635

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClOS
Molecular Mass
210.67998
Exact Mass
209.99061352
Charge
0
InChI
InChI=1S/C10H7ClOS/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6H,5H2
InChIKey
OTWORIPHJRKXBR-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1csc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c(cs2)C(=O)CCl
Calculated Properties
JChem
Acid pKa
14.679919
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.944262
LogD (pH = 7.4)
2.944262
Log P
2.944262
Molar Refractivity
54.5541
Polarizability
22.057066
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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