Molecule

ID:56767

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClOS
Molecular Mass
174.64788
Exact Mass
173.99061352
Charge
0
InChI
InChI=1S/C7H7ClOS/c1-4-5(2)10-3-6(4)7(8)9/h3H,1-2H3
InChIKey
BABKQMLNHKKSHQ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1csc(c1C)C
Isomeric Smiles
c1(c(c(sc1)C)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1038826
LogD (pH = 7.4)
3.1038826
Log P
3.1038826
Molar Refractivity
44.376
Polarizability
16.326693
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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