Molecule

ID:44349

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClOS
Molecular Mass
186.65858
Exact Mass
185.99061352
Charge
0
InChI
InChI=1S/C8H7ClOS/c9-8(10)7-4-5-2-1-3-6(5)11-7/h4H,1-3H2
InChIKey
FSHSZEHNJRQELP-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1sc2c(c1)CCC2
Isomeric Smiles
c1(sc2c(c1)CCC2)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2171648
LogD (pH = 7.4)
3.2171648
Log P
3.2171648
Molar Refractivity
46.8819
Polarizability
17.447626
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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