Molecule

ID:56784

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClOS
Molecular Mass
174.64788
Exact Mass
173.99061352
Charge
0
InChI
InChI=1S/C7H7ClOS/c1-2-5-3-4-6(10-5)7(8)9/h3-4H,2H2,1H3
InChIKey
WMPYANGIDNHXGD-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(s1)C(=O)Cl
Isomeric Smiles
c1(sc(cc1)CC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1674693
LogD (pH = 7.4)
3.1674693
Log P
3.1674693
Molar Refractivity
43.6429
Polarizability
16.410292
Polar Surface Area
17.07
Rotatable Bonds
2
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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