Chem N Furfurylpyrrole Dsrpl

Compound 118
  CheckMol                        TMF02:r0:m0
MF=C9H9NO MW=147.18
 11 12  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3836   -0.5980   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.9849   -1.1022   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.2429   -2.0754   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6968    0.1642   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2228   -2.3919   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0100   -0.5745   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3936    0.0469   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.1742   -2.0519   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.4020   -1.0553   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.6516   -2.3568   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2 01  0  1  0  0
  1  3 01  0  1  0  0
  2  4 02  0  1  0  0
  2  5  1  0  0  0  0
  3  6 02  0  1  0  0
  5  7  1  0  0  0  0
  7  8 01  0  1  0  0
  7  9 01  0  1  0  0
  8 10 02  0  1  0  0
  9 11 02  0  1  0  0
  4  6 01  0  1  0  0
 10 11 01  0  1  0  0
M  END

N-Furfurylpyrrole

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Chemical Name - N-Furfurylpyrrole
Mol Weight - 147.176
Smiles - C(c1ccco1)n1cccc1

Property Name	Property Value
Mol Name	N-Furfurylpyrrole
Molweight	147.176
Monoisotopic Mass	147.068414
Clogp	1.0611
Clogs	-0.775
H Acceptors	2
Total Surface Area	125.67
Relative Psa	0.16695
Polar Surface Area	18.07
Druglikeness	1.2937
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.57745
Molecular Complexity	0.52968
Fragments	1
Non H Atoms	11
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	1
Symmetric Atoms	2
Aromatic Nitrogens	1
Smiles	C(c1ccco1)n1cccc1
InChIKey	InChI=1S/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2
InChI	BTBFUBUCCJKJOZ-UHFFFAOYSA-N

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N-Furfurylpyrrole