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Chem Metribuzin Meghamani | Cheminformatics

Metribuzin


  • SKU Code: CH139738
Chemical Name - Metribuzin
Mol Weight - 214.292
Smiles - CC(C)(C)C(C(N1N)=O)=NN=C1SC
Property Name Property Value
Mol NameMetribuzin
Molweight214.292
Monoisotopic Mass214.088831
Clogp1.0058
Clogs-2.708
H Acceptors5
H Donors1
Total Surface Area159.45
Relative Psa0.45387
Polar Surface Area96.35
Druglikeness-4.0821
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Shape Index0.57143
Molecular Flexibility0.40879
Molecular Complexity0.68273
Fragments1
Non H Atoms14
Non Ch Atoms6
Electronegative Atoms6
Rotatable Bonds2
Rings Closures1
Small Rings1
Sp3 Atoms7
Symmetric Atoms2
SmilesCC(C)(C)C(C(N1N)=O)=NN=C1SC
InChIKeyInChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3
InChIFOXFZRUHNHCZPX-UHFFFAOYSA-N

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