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Chem Simazine Meghamani | Cheminformatics

Simazine


  • SKU Code: CH139736
Chemical Name - Simazine
Mol Weight - 201.66
Smiles - CCNc1nc(Cl)nc(NCC)n1
Property Name Property Value
Mol NameSimazine
Molweight201.66
Monoisotopic Mass201.078122
Clogp1.6664
Clogs-2.756
H Acceptors5
H Donors2
Total Surface Area159.92
Relative Psa0.34911
Polar Surface Area62.73
Druglikeness-0.2393
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index0.69231
Molecular Flexibility0.47309
Molecular Complexity0.61481
Fragments1
Non H Atoms13
Non Ch Atoms6
Electronegative Atoms6
Rotatable Bonds4
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms4
Symmetric Atoms5
Aromatic Nitrogens3
SmilesCCNc1nc(Cl)nc(NCC)n1
InChIKeyInChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIODCWYMIRDDJXKW-UHFFFAOYSA-N

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