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2D Structure

Dipropyl Acetonitrile


  • SKU Code: CH140593
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Chemical Name - Dipropyl Acetonitrile
Mol Weight - 125.214
Smiles - CCCC(CCC)C#N
Property Name Property Value
Mol NameDipropyl Acetonitrile
Molweight125.214
Monoisotopic Mass125.120449
Clogp2.7131
Clogs-2.642
H Acceptors1
Total Surface Area127.27
Relative Psa0.10655
Polar Surface Area23.79
Druglikeness-6.2579
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.77778
Molecular Flexibility0.62755
Molecular Complexity0.44794
Fragments1
Non H Atoms9
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds4
Sp3 Atoms7
Symmetric Atoms3
SmilesCCCC(CCC)C#N
InChIKeyInChI=1S/C8H15N/c1-3-5-8(7-9)6-4-2/h8H,3-6H2,1-2H3
InChIYCBOPMITSGZJDX-UHFFFAOYSA-N

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