Chem Para Tertiary Butyl Phenol

Compound 24
  CheckMol                        TMF02:r0:m0
MF=C10H14O MW=150.22
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    0.7587   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2803    2.2761   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5844    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5725    3.0348   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8765    0.7824   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8647    2.2880   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1569    3.0467   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3982    4.3626   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4490    3.8054   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8919    1.7545   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  6  7 01  0  1  0  0
M  END

Para Tertiary Butyl Phenol

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Chemical Name - Para Tertiary Butyl Phenol
Mol Weight - 150.22
Smiles - CC(C)(C)c(cc1)ccc1O

Property Name	Property Value
Mol Name	Para Tertiary Butyl Phenol
Molweight	150.22
Monoisotopic Mass	150.104465
Clogp	2.8958
Clogs	-2.48
H Acceptors	1
H Donors	1
Total Surface Area	126.8
Relative Psa	0.10331
Polar Surface Area	20.23
Druglikeness	-5.276
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Shape Index	0.63636
Molecular Flexibility	0.47198
Molecular Complexity	0.6089
Fragments	1
Non H Atoms	11
Non Ch Atoms	1
Electronegative Atoms	1
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)c(cc1)ccc1O
InChIKey	InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
InChI	QHPQWRBYOIRBIT-UHFFFAOYSA-N

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Para Tertiary Butyl Phenol