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Chem Adipic Acid 2deep | Cheminformatics

Adipic Acid


  • SKU Code: CH137318
Chemical Name - Adipic Acid
Mol Weight - 146.141
Smiles - OC(CCCCC(O)=O)=O
Property Name Property Value
Mol NameAdipic Acid
Molweight146.141
Monoisotopic Mass146.05791
Clogp0.2422
Clogs-1.014
H Acceptors4
H Donors2
Total Surface Area116.74
Relative Psa0.44783
Polar Surface Area74.6
Druglikeness-12.805
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.8
Molecular Flexibility0.66399
Molecular Complexity0.51986
Fragments1
Non H Atoms10
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds5
Sp3 Atoms6
Symmetric Atoms5
Acidic Oxygens2
SmilesOC(CCCCC(O)=O)=O
InChIKeyInChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIWNLRTRBMVRJNCN-UHFFFAOYSA-N

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1 - Adipic Acid
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