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2D Structure

tert-Butyl carbamate


  • SKU Code: CH140448
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Chemical Name - tert-Butyl carbamate
Mol Weight - 117.147
Smiles - CC(C)(C)OC(N)=O
Property Name Property Value
Mol Nametert-Butyl carbamate
Molweight117.147
Monoisotopic Mass117.078979
Clogp0.6525
Clogs-1.637
H Acceptors3
H Donors1
Total Surface Area96.96
Relative Psa0.39511
Polar Surface Area52.32
Druglikeness-20.458
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Shape Index0.625
Molecular Flexibility0.59345
Molecular Complexity0.59725
Fragments1
Non H Atoms8
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds2
Sp3 Atoms5
Symmetric Atoms2
Amides1
SmilesCC(C)(C)OC(N)=O
InChIKeyInChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)
InChILFKDJXLFVYVEFG-UHFFFAOYSA-N

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