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Chem Quinhydrone | Cheminformatics

Quinhydrone


  • SKU Code: CH137300
Chemical Name - Quinhydrone
Mol Weight - 108.096
Smiles - Oc(cc1)ccc1O.O=C(C=C1)C=CC1=O
Property Name Property Value
Mol NameQuinhydrone
Molweight108.096
Monoisotopic Mass108.02113
Clogp0.0844
Clogs-0.998
H Acceptors2
Total Surface Area88.5
Relative Psa0.29469
Polar Surface Area34.14
Druglikeness-3.0497
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Shape Index0.75
Molecular Flexibility0.30526
Molecular Complexity0.59947
Fragments2
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rings Closures1
Small Rings1
Symmetric Atoms5
SmilesOc(cc1)ccc1O.O=C(C=C1)C=CC1=O
InChIKeyInChI=1S/C6H6O2.C6H4O2/c2*7-5-1-2-6(8)4-3-5/h1-4,7-8H;1-4H
InChIBDJXVNRFAQSMAA-UHFFFAOYSA-N

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1 - Quinhydrone
2 - Quinhydrone
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