Compound 81
  CheckMol                        TMF02:r0:m0
MF=C13H12O MW=184.24
 14 15  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2898    0.7573   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5796    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2780    2.2719   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5677   -1.4673   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8694    0.7810   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5677    3.0292   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355    3.0292   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8575   -2.2128   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1592    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5559    4.5439   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0473    4.5439   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1473   -1.4555   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2425    5.3012   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5 02  0  1  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  4  8 01  0  1  0  0
  5  9 01  0  1  0  0
  6 10 02  0  1  0  0
  7 11 01  0  1  0  0
  8 12 02  0  1  0  0
  9 13 02  0  1  0  0
 11 14 02  0  1  0  0
 10 13 01  0  1  0  0
 12 14 01  0  1  0  0
M  END

2D Structure

Benzhydrol

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Chemical Name - Benzhydrol
Mol Weight - 184.237
Smiles - OC(c1ccccc1)c1ccccc1

Property Name	Property Value
Mol Name	Benzhydrol
Molweight	184.237
Monoisotopic Mass	184.088815
Clogp	2.7781
Clogs	-2.76
H Acceptors	1
H Donors	1
Total Surface Area	151.87
Relative Psa	0.086258
Polar Surface Area	20.23
Druglikeness	-1.3179
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.64286
Molecular Flexibility	0.41163
Molecular Complexity	0.44793
Fragments	1
Non H Atoms	14
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	2
Symmetric Atoms	8
Smiles	OC(c1ccccc1)c1ccccc1
InChIKey	InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
InChI	QILSFLSDHQAZET-UHFFFAOYSA-N

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1 — Benzhydrol | 2 — Benzhydrol