Molecule

ID:77709

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClNO₂
Molecular Mass
145.54376
Exact Mass
144.99305605
Charge
0
InChI
InChI=1S/C5H4ClNO2/c1-3-4(5(6)8)9-2-7-3/h2H,1H3
InChIKey
YPKNOSGIABPXKS-UHFFFAOYSA-N
Canonic Smiles
Cc1ncoc1C(=O)Cl
Isomeric Smiles
o1c(c(nc1)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.15742098
LogD (pH = 7.4)
0.15742105
Log P
0.15742105
Molar Refractivity
32.3511
Polarizability
12.021963
Polar Surface Area
43.1
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
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References
Bioactivity
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