Molecule

ID:110865

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClOS
Molecular Mass
172.632
Exact Mass
171.97496346
Charge
0
InChI
InChI=1S/C7H5ClOS/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
InChIKey
HBEFYGYBMKPNSZ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)Sc1ccccc1
Isomeric Smiles
ClC(=O)Sc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.061788
LogD (pH = 7.4)
3.061788
Log P
3.061788
Molar Refractivity
44.3467
Polarizability
17.180304
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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