Molecule

ID:56810

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClOS
Molecular Mass
228.73832
Exact Mass
228.03756372
Charge
0
InChI
InChI=1S/C11H13ClOS/c12-11(13)10-7-8-5-3-1-2-4-6-9(8)14-10/h7H,1-6H2
InChIKey
ROHVXDURUHBXHM-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1sc2c(c1)CCCCCC2
Isomeric Smiles
c1(sc2c(c1)CCCCCC2)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.550871
LogD (pH = 7.4)
4.550871
Log P
4.550871
Molar Refractivity
60.6849
Polarizability
22.932379
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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