Chem 1h Pyrrole 1 Carboxylicanhydride Dsrpl

Compound 300
  CheckMol                        TMF02:r0:m0
MF=C10H8N2O3 MW=204.18
 15 16  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4902   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3246   -2.2353   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2773   -2.2353   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6375   -1.4784   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4193   -3.7137   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6375   -1.6085   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6493    0.0355   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9503   -2.2235   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.8740   -4.0094   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6309   -2.7084   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3340   -1.5967   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.1158   -3.7019   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.3512   -2.6966   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.5942   -3.9976   -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 01  0  1  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10 02  0  1  0  0
  7 11 02  0  1  0  0
  9 12 01  0  1  0  0
  9 13 01  0  1  0  0
 12 14 02  0  1  0  0
 13 15 02  0  1  0  0
 10 11 01  0  1  0  0
 14 15 01  0  1  0  0
M  END

1H-pyrrole-1-carboxylicanhydride

₹ 0.00 0.00

Chemical Name - 1H-pyrrole-1-carboxylicanhydride
Mol Weight - 204.185
Smiles - O=C(n1cccc1)OC(n1cccc1)=O

Property Name	Property Value
Mol Name	1H-pyrrole-1-carboxylicanhydride
Molweight	204.185
Monoisotopic Mass	204.053493
Clogp	1.5875
Clogs	-1.843
H Acceptors	5
Total Surface Area	156.92
Relative Psa	0.31749
Polar Surface Area	53.23
Druglikeness	-8.8441
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.6
Molecular Flexibility	0.32515
Molecular Complexity	0.53051
Fragments	1
Non H Atoms	15
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	1
Symmetric Atoms	9
Aromatic Nitrogens	2
Smiles	O=C(n1cccc1)OC(n1cccc1)=O
InChIKey	InChI=1S/C10H8N2O3/c13-9(11-5-1-2-6-11)15-10(14)12-7-3-4-8-12/h1-8H
InChI	QWZPWKSAEPEWOP-UHFFFAOYSA-N

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1 - 1H-pyrrole-1-carboxylicanhydride
2 - 1H-pyrrole-1-carboxylicanhydride

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1H-pyrrole-1-carboxylicanhydride