Chem Salicylaldehydeazine Dsrpl

Compound 360
  CheckMol                        TMF02:r0:m0
MF=C14H12N2O2 MW=240.26
 18 19  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    1.5051   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3170    2.2577   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2699    2.2577   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3287    3.7628   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6222    1.5169   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2582    3.7628   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470    4.5153   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9274    2.2694   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2326    1.5286   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5378    2.2812   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8430    1.5404   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1482    2.2929   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8547    0.0588   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1599    3.7980   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4534    1.5521   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1599   -0.6820   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4652    0.0706   -0.0000 C   0  0  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
  3  6  2  0  0  0  0
  4  7  2  0  1  0  0
  5  8  2  0  1  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  1  0  0
 12 14  1  0  1  0  0
 13 15  2  0  0  0  0
 13 16  1  0  1  0  0
 14 17  2  0  1  0  0
 16 18  2  0  1  0  0
  7  8  1  0  1  0  0
 17 18  1  0  1  0  0
M  END

SalicylaldehydeAzine

₹ 0.00 0.00

Chemical Name - SalicylaldehydeAzine
Mol Weight - 240.261
Smiles - O=C(C=CC=C1)/C1=C/NN/C=C(C=CC=C1)/C1=O

Property Name	Property Value
Mol Name	SalicylaldehydeAzine
Molweight	240.261
Monoisotopic Mass	240.089878
Clogp	-0.5752
Clogs	-2.426
H Acceptors	4
H Donors	2
Total Surface Area	200.34
Relative Psa	0.24458
Polar Surface Area	58.2
Druglikeness	2.4218
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.41772
Molecular Complexity	0.61868
Fragments	1
Non H Atoms	18
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Symmetric Atoms	9
Smiles	O=C(C=CC=C1)/C1=C/NN/C=C(C=CC=C1)/C1=O
InChIKey	InChI=1S/C14H12N2O2/c17-13-7-3-1-5-11(13)9-15-16-10-12-6-2-4-8-14(12)18/h1-10,15-16H
InChI	SPEXYYIULCBQJR-UHFFFAOYSA-N

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SalicylaldehydeAzine