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Chem Sebacic Acid | Cheminformatics

Sebacic Acid


  • SKU Code: CH137310
Chemical Name - Sebacic Acid
Mol Weight - 202.249
Smiles - OC(CCCCCCCCC(O)=O)=O
Property Name Property Value
Mol NameSebacic Acid
Molweight202.249
Monoisotopic Mass202.12051
Clogp2.0598
Clogs-2.094
H Acceptors4
H Donors2
Total Surface Area171.78
Relative Psa0.30434
Polar Surface Area74.6
Druglikeness-12.715
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.85714
Molecular Flexibility0.58251
Molecular Complexity0.38376
Fragments1
Non H Atoms14
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds9
Sp3 Atoms10
Symmetric Atoms7
Acidic Oxygens2
SmilesOC(CCCCCCCCC(O)=O)=O
InChIKeyInChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChICXMXRPHRNRROMY-UHFFFAOYSA-N

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