Chem 1 4 Nitrophenyl 3 Phenylazophenyl Triazine

Compound 1
  CheckMol                        TMF02:r0:m0
MF=C21H18N6O2 MW=386.41
 29 32  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2908   -0.7342   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790   -2.2264   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5816    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8724   -0.7105   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5698    1.5513   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1633    0.0474   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8606    2.3211   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1514    1.5632   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4422    2.3329   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.5869   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304    3.8488   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0239    2.3448   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7212    4.6067   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3147    1.5987   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0120    3.8606   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3028    0.1066   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   11.6055    2.3566   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.9883   -0.6276   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5937   -0.6276   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   12.8963    1.6224   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.9765   -2.1198   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8845    0.1303   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.6620   -2.8658   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.6502   -4.3580   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.3475   -2.1079   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.3357   -5.1041   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.0330   -2.8540   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.0212   -4.3461   -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  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 02  0  1  0  0
  9 10  1  0  0  0  0
 10 11  1  0  1  0  0
 10 12  1  0  1  0  0
 11 13  1  0  1  0  0
 12 14  2  0  1  0  0
 13 15  1  0  0  0  0
 13 16  1  0  1  0  0
 15 17 02  0  1  0  0
 15 18 01  0  1  0  0
 17 19  1  0  0  0  0
 17 20 01  0  1  0  0
 18 21 02  0  1  0  0
 19 22  2  3  0  0  0
 20 23 02  0  1  0  0
 22 24  1  0  0  0  0
 24 25 02  0  1  0  0
 24 26 01  0  1  0  0
 25 27 01  0  1  0  0
 26 28 02  0  1  0  0
 27 29 02  0  1  0  0
  8  9 01  0  1  0  0
 14 16  1  0  1  0  0
 21 23 01  0  1  0  0
 28 29 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

[1-(4-nitrophenyl)-3-(Phenylazophenyl)-Triazine]

₹ 0.00 0.00

Chemical Name - [1-(4-nitrophenyl)-3-(Phenylazophenyl)-Triazine]
Mol Weight - 386.414
Smiles - [O-][N+](c(cc1)ccc1N(C=CC1)NN1c(cccc1)c1N=Nc1ccccc1)=O

Property Name	Property Value
Mol Name	[1-(4-nitrophenyl)-3-(Phenylazophenyl)-Triazine]
Molweight	386.414
Monoisotopic Mass	386.149124
Clogp	3.7099
Clogs	-5.418
H Acceptors	8
H Donors	1
Total Surface Area	298.29
Relative Psa	0.24138
Polar Surface Area	89.05
Druglikeness	-8.1406
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	low
Shape Index	0.58621
Molecular Flexibility	0.42304
Molecular Complexity	0.80649
Fragments	1
Non H Atoms	29
Non Ch Atoms	8
Electronegative Atoms	8
Rotatable Bonds	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	4
Symmetric Atoms	4
Acidic Oxygens	1
Smiles	[O-][N+](c(cc1)ccc1N(C=CC1)NN1c(cccc1)c1N=Nc1ccccc1)=O
InChIKey	InChI=1S/C21H18N6O2/c28-27(29)19-13-11-18(12-14-19)25-15-6-16-26(24-25)21-10-5-4-9-20(21)23-22-17-7-2-1-3-8-17/h1-15,24H,16H2
InChI	BZQXMUOFPPDBAE-UHFFFAOYSA-N

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1 - [1-(4-nitrophenyl)-3-(Phenylazophenyl)-Triazine]
2 - [1-(4-nitrophenyl)-3-(Phenylazophenyl)-Triazine]

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[1-(4-nitrophenyl)-3-(Phenylazophenyl)-Triazine]