Chem 4 Hydroxy Benzophenone Bcipl

Compound 65
  CheckMol                        TMF02:r0:m0
MF=C13H10O2 MW=198.22
 15 16  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4944   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2809   -2.2297   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3283   -2.2297   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5736   -1.4706   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2690   -3.7241   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6448   -1.4588   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3402   -3.7241   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8664   -2.2178   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5618   -4.4594   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9613   -2.1941   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6567   -4.4594   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8545   -3.7122   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9731   -3.6885   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1473   -4.4594   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
 13 15  1  0  0  0  0
 10 13 01  0  1  0  0
 12 14 01  0  1  0  0
M  END

4-Hydroxy Benzophenone

₹ 0.00 0.00

Chemical Name - 4-Hydroxy Benzophenone
Mol Weight - 198.22
Smiles - Oc(cc1)ccc1C(c1ccccc1)=O
InChI - NPFYZDNDJHZQKY-UHFFFAOYSA-N
InChIKey - InChI=1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H

Property Name	Property Value
Mol Name	4-Hydroxy Benzophenone
Molweight	198.22
Monoisotopic Mass	198.06808
Clogp	2.4439
Clogs	-3.42
H Acceptors	2
H Donors	1
Total Surface Area	157.12
Relative Psa	0.16637
Polar Surface Area	37.3
Druglikeness	-1.0702
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.47954
Molecular Complexity	0.4995
Fragments	1
Non H Atoms	15
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	1
Symmetric Atoms	4
Smiles	Oc(cc1)ccc1C(c1ccccc1)=O
InChIKey	InChI=1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H
InChI	NPFYZDNDJHZQKY-UHFFFAOYSA-N

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4-Hydroxy Benzophenone