Molecule

ID:56769

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClOS
Molecular Mass
200.68516
Exact Mass
200.00626359
Charge
0
InChI
InChI=1S/C9H9ClOS/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2
InChIKey
AUTYFGHABWCHOO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1csc2c1CCCC2
Isomeric Smiles
c1(c2c(sc1)CCCC2)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.529294
LogD (pH = 7.4)
3.529294
Log P
3.529294
Molar Refractivity
51.6988
Polarizability
19.267902
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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