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Chem 3 Chloropropionitrile | Cheminformatics

3-Chloropropionitrile


  • SKU Code: CH137885
Chemical Name - 3-Chloropropionitrile
Mol Weight - 89.5248
Smiles - N#CCCCl
Property Name Property Value
Mol Name3-Chloropropionitrile
Molweight89.5248
Monoisotopic Mass89.003226
Clogp0.9065
Clogs-1.803
H Acceptors1
Total Surface Area78.15
Relative Psa0.17351
Polar Surface Area23.79
Druglikeness-11.336
Mutageniclow
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Shape Index1
Molecular Flexibility0.56372
Molecular Complexity0.54931
Fragments1
Non H Atoms5
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Sp3 Atoms2
SmilesN#CCCCl
InChIKeyInChI=1S/C3H4ClN/c4-2-1-3-5/h1-2H2
InChIGNHMRTZZNHZDDM-UHFFFAOYSA-N

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