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Chem Ninhydrin | Cheminformatics

Ninhydrin


  • SKU Code: CH137290
Chemical Name - Ninhydrin
Mol Weight - 178.143
Smiles - OC(C(c1c2cccc1)=O)(C2=O)O
Property Name Property Value
Mol NameNinhydrin
Molweight178.143
Monoisotopic Mass178.02661
Clogp0.1098
Clogs-2.084
H Acceptors4
H Donors2
Total Surface Area118.37
Relative Psa0.44167
Polar Surface Area74.6
Druglikeness0.5775
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Shape Index0.46154
Molecular Complexity0.74343
Fragments1
Non H Atoms13
Non Ch Atoms4
Electronegative Atoms4
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms3
Symmetric Atoms6
SmilesOC(C(c1c2cccc1)=O)(C2=O)O
InChIKeyInChI=1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13H
InChIFEMOMIGRRWSMCU-UHFFFAOYSA-N

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1 - Ninhydrin
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