Chem 3 Picolyl Chloride Pacific | Cheminformatics
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2D Structure

3-Picolyl Chloride


  • SKU Code: CH138925
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Chemical Name - 3-Picolyl Chloride
Mol Weight - 127.574
Smiles - ClCc1cnccc1
Property Name Property Value
Mol Name3-Picolyl Chloride
Molweight127.574
Monoisotopic Mass127.018876
Clogp1.1928
Clogs-1.939
H Acceptors1
Total Surface Area101.2
Relative Psa0.1084
Polar Surface Area12.89
Druglikeness-1.9907
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Shape Index0.75
Molecular Flexibility0.30873
Molecular Complexity0.64124
Fragments1
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms1
Aromatic Nitrogens1
SmilesClCc1cnccc1
InChIKeyInChI=1S/C6H6ClN/c7-4-6-2-1-3-8-5-6/h1-3,5H,4H2
InChICNQCWYFDIQSALX-UHFFFAOYSA-N

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