Chem Cyclohexane 13 Dione Monophenyl Hydrazone

Compound 10
  CheckMol                        TMF02:r0:m0
MF=C12H14N2O MW=202.26
 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
    1.2948   -0.7484   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897    0.0119   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2830   -2.2452   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8845   -0.7365   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5778   -2.9817   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1794    0.0238   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8726   -2.2333   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4742   -0.7128   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7691    0.0475   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0639   -0.6890   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7572    1.5681   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.3587    0.0832   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0520    2.3402   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.3469    1.6037   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  1  0  0
  4  6  1  0  1  0  0
  5  7  2  3  0  0  0
  5  8  1  0  1  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11 02  0  1  0  0
 10 12 01  0  1  0  0
 11 13 01  0  1  0  0
 12 14 02  0  1  0  0
 13 15 02  0  1  0  0
  6  8  1  0  1  0  0
 14 15 01  0  1  0  0
M  END

Cyclohexane-1,3-dione monophenyl hydrazone

₹ 0.00 0.00

Chemical Name - Cyclohexane-1,3-dione monophenyl hydrazone
Mol Weight - 202.256
Smiles - O=C(CCC1)CC1=NNc1ccccc1

Property Name	Property Value
Mol Name	Cyclohexane-1,3-dione monophenyl hydrazone
Molweight	202.256
Monoisotopic Mass	202.110613
Clogp	3.8832
Clogs	-2.663
H Acceptors	3
H Donors	1
Total Surface Area	166.98
Relative Psa	0.21565
Polar Surface Area	41.46
Druglikeness	-3.0698
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.27068
Molecular Complexity	0.55002
Fragments	1
Non H Atoms	15
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Symmetric Atoms	2
Smiles	O=C(CCC1)CC1=NNc1ccccc1
InChIKey	InChI=1S/C12H14N2O/c15-12-8-4-7-11(9-12)14-13-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2
InChI	ASBKHKGFGCNQJB-UHFFFAOYSA-N

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Cyclohexane-1,3-dione monophenyl hydrazone