Molecule

ID:56771

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClOS
Molecular Mass
188.67446
Exact Mass
188.00626359
Charge
0
InChI
InChI=1S/C8H9ClOS/c1-2-3-7-4-6(5-11-7)8(9)10/h4-5H,2-3H2,1H3
InChIKey
RTSDAWMEIVUMFX-UHFFFAOYSA-N
Canonic Smiles
CCCc1cc(cs1)C(=O)Cl
Isomeric Smiles
c1(cc(sc1)CCC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4795985
LogD (pH = 7.4)
3.4795985
Log P
3.4795985
Molar Refractivity
48.4598
Polarizability
18.231491
Polar Surface Area
17.07
Rotatable Bonds
3
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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