Molecule

ID:101958

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClOS
Molecular Mass
146.59472
Exact Mass
145.9593134
Charge
0
InChI
InChI=1S/C5H3ClOS/c6-4-1-2-8-5(4)3-7/h1-3H
InChIKey
PJOJWMNHMJFFCR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sccc1Cl
Isomeric Smiles
c1(c(ccs1)Cl)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2026742
LogD (pH = 7.4)
2.2026742
Log P
2.2026742
Molar Refractivity
34.3367
Polarizability
12.878107
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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