Molecule

ID:80609

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClOS
Molecular Mass
146.59472
Exact Mass
145.9593134
Charge
0
InChI
InChI=1S/C5H3ClOS/c6-5(7)4-2-1-3-8-4/h1-3H
InChIKey
QIQITDHWZYEEPA-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccs1
Isomeric Smiles
s1c(ccc1)C(=O)Cl
Calculated Properties
JChem
Polarizability
12.845636
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0770397
LogD (pH = 7.4)
2.0770397
Log P
2.0770397
Molar Refractivity
34.0626
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
References
Bioactivity
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