Compound 3
  CheckMol                        TMF02:r0:m0
MF=C15H24O MW=220.35
 16 16  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4987   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2846   -2.2481   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3322   -2.2362   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2727   -3.7469   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5812   -1.4869   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3441   -3.7350   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0476   -4.4843   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8777   -2.2243   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1742   -1.4631   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4708   -2.2005   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7673   -1.4393   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0638   -2.1767   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3604   -1.4155   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6569   -2.1530   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9534   -1.3917   -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
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

2D Structure

Nonyl Phenol

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Chemical Name - Nonyl Phenol
Mol Weight - 220.355
Smiles - CCCCCCCCCc(cccc1)c1O

Property Name	Property Value
Mol Name	Nonyl Phenol
Molweight	220.355
Monoisotopic Mass	220.182715
Clogp	5.2542
Clogs	-3.713
H Acceptors	1
H Donors	1
Total Surface Area	201.95
Relative Psa	0.064868
Polar Surface Area	20.23
Druglikeness	-20.191
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Shape Index	0.8125
Molecular Flexibility	0.50138
Molecular Complexity	0.53051
Fragments	1
Non H Atoms	16
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	8
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	10
Smiles	CCCCCCCCCc(cccc1)c1O
InChIKey	InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3
InChI	SNQQPOLDUKLAAF-UHFFFAOYSA-N

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1 — Nonyl Phenol | 2 — Nonyl Phenol