Chem 24 Dihydroxy Benzophenone Molychem

Compound 332
  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
   -0.0118   -1.4929   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2797   -2.2276   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3271   -2.2276   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5712   -1.4574   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2678   -3.7205   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6423   -1.4574   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3389   -3.7205   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5593    0.0592   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8627   -2.1920   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5593   -4.4551   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9575   -2.1920   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6541   -4.4551   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8508   -3.6850   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9693   -3.6850   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1424   -4.4196   -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  1  0  0  0  0
  5 10 01  0  1  0  0
  6 11 02  0  1  0  0
  7 12 01  0  1  0  0
  8 13 02  0  1  0  0
 10 14 02  0  1  0  0
 12 15 02  0  1  0  0
 14 16  1  0  0  0  0
 11 14 01  0  1  0  0
 13 15 01  0  1  0  0
M  END

2,4 Dihydroxy Benzophenone

₹ 0.00 0.00

Chemical Name - 2,4 Dihydroxy Benzophenone
Mol Weight - 214.219
Smiles - Oc(cc1)cc(O)c1C(c1ccccc1)=O

Property Name	Property Value
Mol Name	2,4 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	low
Reproductive Effective	low
Irritant	high
Shape Index	0.625
Molecular Flexibility	0.47879
Molecular Complexity	0.61678
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	2
Smiles	Oc(cc1)cc(O)c1C(c1ccccc1)=O
InChIKey	InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H
InChI	ZXDDPOHVAMWLBH-UHFFFAOYSA-N

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2,4 Dihydroxy Benzophenone