Compound 135
  CheckMol                        TMF02:r0:m0
MF=C12H11N3 MW=197.24
 15 16  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3109    0.7558   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2872    0.7558   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6217    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2754    2.2674   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5745    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9326    0.7912   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6335   -1.4644   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5627    3.0351   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8617    0.7912   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2434    0.0590   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9444   -2.1966   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8499    2.3029   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2553   -1.4290   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1372    3.0587   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3  0  0  0
  1  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

2D Structure

4-Aminoazobenzene

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Chemical Name - 4-Aminoazobenzene
Mol Weight - 197.24
Smiles - Nc(cc1)ccc1N=Nc1ccccc1

Property Name	Property Value
Mol Name	4-Aminoazobenzene
Molweight	197.24
Monoisotopic Mass	197.095297
Clogp	3.1845
Clogs	-4.184
H Acceptors	3
H Donors	1
Total Surface Area	164.56
Relative Psa	0.23268
Polar Surface Area	50.74
Druglikeness	-5.855
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	low
Shape Index	0.73333
Molecular Flexibility	0.43923
Molecular Complexity	0.42796
Fragments	1
Non H Atoms	15
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetric Atoms	4
Amines	1
Aromatic Amines	1
Smiles	Nc(cc1)ccc1N=Nc1ccccc1
InChIKey	InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2
InChI	QPQKUYVSJWQSDY-UHFFFAOYSA-N

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1 — 4-Aminoazobenzene | 2 — 4-Aminoazobenzene