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Chemistry | Cheminformatics | Software | Chem 5 Chloro Salicylic Acid

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5-Chloro Salicylic Acid


  • SKU Code: CH137012
Chemical Name - 5-Chloro Salicylic Acid
Mol Weight - 172.567
Smiles - OC(c(cc(cc1)Cl)c1O)=O
Property Name Property Value
Mol Name5-Chloro Salicylic Acid
Molweight172.567
Monoisotopic Mass171.992722
Clogp1.405
Clogs-2.069
H Acceptors3
H Donors2
Total Surface Area119.13
Relative Psa0.32939
Polar Surface Area57.53
Druglikeness-1.6821
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.54545
Molecular Flexibility0.35822
Molecular Complexity0.73778
Fragments1
Non H Atoms11
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
Acidic Oxygens1
SmilesOC(c(cc(cc1)Cl)c1O)=O
InChIKeyInChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChINKBASRXWGAGQDP-UHFFFAOYSA-N

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