Molecule

ID:76063

General Information
Structure
Molecular Formula
C₅H₃ClOS
Molecular Mass
146.59472
Exact Mass
145.9593134
Charge
0
InChI
InChI=1S/C5H3ClOS/c6-5-2-1-4(3-7)8-5/h1-3H
InChIKey
VWYFITBWBRVBSW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(s1)C=O
Isomeric Smiles
s1c(ccc1C=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3686702
LogD (pH = 7.4)
2.3686702
Log P
2.3686702
Molar Refractivity
33.4966
Polarizability
12.909612
Polar Surface Area
17.07
Rotatable Bonds
1
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
References
Bioactivity
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