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Chem Cyclohexane 13 Dione Monophenyl Hydrazone | Cheminformatics

Cyclohexane-1,3-dione monophenyl hydrazone


  • SKU Code: CH137102
Chemical Name - Cyclohexane-1,3-dione monophenyl hydrazone
Mol Weight - 202.256
Smiles - O=C(CCC1)CC1=NNc1ccccc1
Property Name Property Value
Mol NameCyclohexane-1,3-dione monophenyl hydrazone
Molweight202.256
Monoisotopic Mass202.110613
Clogp3.8832
Clogs-2.663
H Acceptors3
H Donors1
Total Surface Area166.98
Relative Psa0.21565
Polar Surface Area41.46
Druglikeness-3.0698
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.27068
Molecular Complexity0.55002
Fragments1
Non H Atoms15
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds2
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms4
Symmetric Atoms2
SmilesO=C(CCC1)CC1=NNc1ccccc1
InChIKeyInChI=1S/C12H14N2O/c15-12-8-4-7-11(9-12)14-13-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2
InChIASBKHKGFGCNQJB-UHFFFAOYSA-N

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