Chem 5 Hydroxymethyl 1h Pyrrole 2 Carboxylicacid Dsrpl

Compound 94
  CheckMol                        TMF02:r0:m0
MF=C6H7NO3 MW=141.13
 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
    1.4804    0.1645   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3499   -1.0340   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0797    1.5509   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.5366    1.8799   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.3159    2.8669   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6776    3.3839   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.3029    3.9948   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.9700    4.1476   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625    3.4074   -0.0000 O   0  0  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 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7  8 02  0  1  0  0
M  END

5-(hydroxymethyl)-1H-pyrrole-2-carboxylicacid

₹ 0.00 0.00

Chemical Name - 5-(hydroxymethyl)-1H-pyrrole-2-carboxylicacid
Mol Weight - 141.126
Smiles - OCc1ccc(C(O)=O)[nH]1

Property Name	Property Value
Mol Name	5-(hydroxymethyl)-1H-pyrrole-2-carboxylicacid
Molweight	141.126
Monoisotopic Mass	141.042594
Clogp	-0.6221
Clogs	-0.585
H Acceptors	4
H Donors	3
Total Surface Area	107.04
Relative Psa	0.49729
Polar Surface Area	73.32
Druglikeness	2.338
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.4429
Molecular Complexity	0.69315
Fragments	1
Non H Atoms	10
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3 Atoms	3
Aromatic Nitrogens	1
Acidic Oxygens	1
Smiles	OCc1ccc(C(O)=O)[nH]1
InChIKey	InChI=1S/C6H7NO3/c8-3-4-1-2-5(7-4)6(9)10/h1-2,7-8H,3H2,(H,9,10)
InChI	KIBYCUUTMFTJRG-UHFFFAOYSA-N

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1 - 5-(hydroxymethyl)-1H-pyrrole-2-carboxylicacid
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5-(hydroxymethyl)-1H-pyrrole-2-carboxylicacid