2D Structure

Tebuconazole


  • SKU Code: CH139756
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Chemical Name - Tebuconazole
Mol Weight - 307.824
Smiles - CC(C)(C)C(CCc(cc1)ccc1Cl)(Cn1ncnc1)O
Property Name Property Value
Mol NameTebuconazole
Molweight307.824
Monoisotopic Mass307.145139
Clogp3.4082
Clogs-3.493
H Acceptors4
H Donors1
Total Surface Area240.39
Relative Psa0.17434
Polar Surface Area50.94
Druglikeness0.72079
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Shape Index0.57143
Molecular Flexibility0.58994
Molecular Complexity0.70595
Fragments1
Non H Atoms21
Non Ch Atoms5
Electronegative Atoms5
Stereo Centers1
Rotatable Bonds6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3 Atoms9
Symmetric Atoms4
Aromatic Nitrogens3
SmilesCC(C)(C)C(CCc(cc1)ccc1Cl)(Cn1ncnc1)O
InChIKeyInChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
InChIPXMNMQRDXWABCY-UHFFFAOYSA-N

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