Compound 63
  CheckMol                        TMF02:r0:m0
MF=C11H16 MW=148.25
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3110    0.7677   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4882   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2874    0.7559   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6220    0.0354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3228   -2.2204   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.5315    2.0669   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5748    1.5118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0197   -0.5315   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6338   -1.4527   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9448   -2.1850   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2 02  0  1  0  0
  1  3 01  0  1  0  0
  1  4  1  0  0  0  0
  2  5 01  0  1  0  0
  3  6 02  0  1  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10 02  0  1  0  0
 10 11  1  0  0  0  0
  6 10 01  0  1  0  0
M  END

2D Structure

Para Tert Butyl Toluene

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Chemical Name - Para Tert Butyl Toluene
Mol Weight - 148.248
Smiles - CC(C)(C)c1ccc(C)cc1

Property Name	Property Value
Mol Name	Para Tert Butyl Toluene
Molweight	148.248
Monoisotopic Mass	148.1252
Clogp	3.5854
Clogs	-3.12
Total Surface Area	132.71
Druglikeness	-5.4582
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	high
Shape Index	0.63636
Molecular Flexibility	0.47198
Molecular Complexity	0.56664
Fragments	1
Non H Atoms	11
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	5
Symmetric Atoms	4
Smiles	CC(C)(C)c1ccc(C)cc1
InChIKey	InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3
InChI	QCWXDVFBZVHKLV-UHFFFAOYSA-N

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