Chem 7 Azaindole 1h Pyrrolo23 Bpyridine AlkaliMetal

Compound 287
  CheckMol                        TMF02:r0:m0
MF=C14H12N4 MW=236.28
 18 20  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.6711    1.3541   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.8478   -1.2363   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.1177    2.7552   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.1783    1.4718   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3549   -1.1186   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.2834    3.7325   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.0261    0.2355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.5551    2.9436   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6375    2.3549   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.2851    1.0244   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.4617    3.6148   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.7081   -0.3532   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    4.7687    0.9302   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.9453    3.5206   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8503   -1.3070   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.5929    2.1901   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1219   -0.5181   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2 02  0  1  0  0
  1  3 01  0  1  0  0
  2  4 01  0  1  0  0
  2  5 01  0  2  0  0
  3  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  5  9 01  0  1  0  0
 10 11 02  0  1  0  0
 10 12 01  0  1  0  0
 11 13 01  0  1  0  0
 11 14 01  0  2  0  0
 12 15 02  0  1  0  0
 13 16 01  0  1  0  0
 14 17 02  0  1  0  0
 14 18 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
 15 17 01  0  1  0  0
 16 18 02  0  1  0  0
M  END

7-Azaindole (1h-Pyrrolo[2,3-B]Pyridine)

₹ 0.00 0.00

Chemical Name - 7-Azaindole (1h-Pyrrolo[2,3-B]Pyridine)
Mol Weight - 118.139
Smiles - c1c[nH]c2ncccc12.c1c[nH]c2ncccc12

Property Name	Property Value
Mol Name	7-Azaindole (1h-Pyrrolo[2,3-B]Pyridine)
Molweight	118.139
Monoisotopic Mass	118.053098
Clogp	0.981
Clogs	-2.191
H Acceptors	2
H Donors	1
Total Surface Area	96.19
Relative Psa	0.25949
Polar Surface Area	28.68
Druglikeness	-0.69049
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.55556
Molecular Complexity	0.72752
Fragments	2
Non H Atoms	9
Non Ch Atoms	2
Electronegative Atoms	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Aromatic Nitrogens	2
Smiles	c1c[nH]c2ncccc12.c1c[nH]c2ncccc12
InChIKey	InChI=1S/2C7H6N2/c21-2-6-3-5-9-7(6)8-4-1/h21-5H,(H,8,9)
InChI	FOSACRHDRLQGIT-UHFFFAOYSA-N

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1 - 7-Azaindole (1h-Pyrrolo[2,3-B]Pyridine)
2 - 7-Azaindole (1h-Pyrrolo[2,3-B]Pyridine)

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7-Azaindole (1h-Pyrrolo[2,3-B]Pyridine)