Chem 44 Dihydroxy Benzophenone Bcipl

Compound 70
  CheckMol                        TMF02:r0:m0
MF=C13H10O3 MW=214.22
 16 17  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   -1.4939   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2805   -2.2290   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3279   -2.2290   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5728   -1.4702   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2686   -3.7229   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6440   -1.4583   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3398   -3.7229   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8652   -2.2171   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5610   -4.4580   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9600   -2.1934   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6558   -4.4580   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8533   -3.7111   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9719   -3.6873   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1457   -4.4580   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2880   -4.4224   -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
 14 16  1  0  0  0  0
 10 13 01  0  1  0  0
 12 14 01  0  1  0  0
M  END

4,4’-Dihydroxy Benzophenone

₹ 0.00 0.00

Chemical Name - 4,4’-Dihydroxy Benzophenone
Mol Weight - 214.219
Smiles - Oc(cc1)ccc1C(c(cc1)ccc1O)=O
InChI - RXNYJUSEXLAVNQ-UHFFFAOYSA-N
InChIKey - InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H

Property Name	Property Value
Mol Name	4,4’-Dihydroxy Benzophenone
Molweight	214.219
Monoisotopic Mass	214.062995
Clogp	2.0982
Clogs	-3.124
H Acceptors	3
H Donors	2
Total Surface Area	163.47
Relative Psa	0.24004
Polar Surface Area	57.53
Druglikeness	-1.0702
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6875
Molecular Flexibility	0.47879
Molecular Complexity	0.51585
Fragments	1
Non H Atoms	16
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	2
Symmetric Atoms	9
Smiles	Oc(cc1)ccc1C(c(cc1)ccc1O)=O
InChIKey	InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H
InChI	RXNYJUSEXLAVNQ-UHFFFAOYSA-N

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4,4’-Dihydroxy Benzophenone