Molecule

ID:42225

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClO₂
Molecular Mass
130.52912
Exact Mass
129.98215702
Charge
0
InChI
InChI=1S/C5H3ClO2/c6-5(7)4-1-2-8-3-4/h1-3H
InChIKey
BTUIFMCWPFMNRG-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cocc1
Isomeric Smiles
c1(C(=O)Cl)cocc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3044039
LogD (pH = 7.4)
1.3044039
Log P
1.3044039
Molar Refractivity
29.6861
Polarizability
11.070768
Polar Surface Area
30.21
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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