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2D Structure

3-Chloropropionic acid


  • SKU Code: CH137892
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Chemical Name - 3-Chloropropionic acid
Mol Weight - 108.524
Smiles - OC(CCCl)=O
Property Name Property Value
Mol Name3-Chloropropionic acid
Molweight108.524
Monoisotopic Mass107.997807
Clogp0.3846
Clogs-1.13
H Acceptors2
H Donors1
Total Surface Area80.54
Relative Psa0.32456
Polar Surface Area37.3
Druglikeness-3.7226
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Shape Index0.83333
Molecular Flexibility0.84809
Molecular Complexity0.80472
Fragments1
Non H Atoms6
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds2
Sp3 Atoms3
Acidic Oxygens1
SmilesOC(CCCl)=O
InChIKeyInChI=1S/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
InChIQEYMMOKECZBKAC-UHFFFAOYSA-N

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