Chem Ethylpyrrole 2 Carboxylate Dsrpl

Compound 87
  CheckMol                        TMF02:r0:m0
MF=C7H9NO2 MW=139.15
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4912   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2781   -2.2368   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3255   -2.2368   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5681   -1.4793   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7101   -1.6095   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4912   -3.7161   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8581   -2.2249   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7279   -2.7101   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.9705   -4.0119   -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
  3  5  1  0  0  0  0
  4  6 01  0  1  0  0
  4  7 02  0  1  0  0
  5  8  1  0  0  0  0
  6  9 01  0  1  0  0
  7 10 01  0  1  0  0
  9 10 02  0  1  0  0
M  END

Ethylpyrrole-2-carboxylate

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Chemical Name - Ethylpyrrole-2-carboxylate
Mol Weight - 139.153
Smiles - CCOC(c1ccc[nH]1)=O

Property Name	Property Value
Mol Name	Ethylpyrrole-2-carboxylate
Molweight	139.153
Monoisotopic Mass	139.063329
Clogp	0.7554
Clogs	-1.105
H Acceptors	3
H Donors	1
Total Surface Area	116.6
Relative Psa	0.31758
Polar Surface Area	42.09
Druglikeness	-2.3765
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.3793
Molecular Complexity	0.64378
Fragments	1
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3 Atoms	3
Aromatic Nitrogens	1
Smiles	CCOC(c1ccc[nH]1)=O
InChIKey	InChI=1S/C7H9NO2/c1-2-10-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3
InChI	PAEYAKGINDQUCT-UHFFFAOYSA-N

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Ethylpyrrole-2-carboxylate