2D Structure

3-Chloro Propiophenone


  • SKU Code: CH139967
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Chemical Name - 3-Chloro Propiophenone
Mol Weight - 168.622
Smiles - O=C(CCCl)c1ccccc1
Property Name Property Value
Mol Name3-Chloro Propiophenone
Molweight168.622
Monoisotopic Mass168.034192
Clogp2.2145
Clogs-2.971
H Acceptors1
Total Surface Area133.95
Relative Psa0.09735
Polar Surface Area17.07
Druglikeness-2.8388
Mutageniclow
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Shape Index0.72727
Molecular Flexibility0.52941
Molecular Complexity0.57807
Fragments1
Non H Atoms11
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds3
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
Symmetric Atoms2
SmilesO=C(CCCl)c1ccccc1
InChIKeyInChI=1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKTJRGPZVSKWRTJ-UHFFFAOYSA-N

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