Chem 2 Methyl 4 Propan 2 Yl 1h Pyrrole 3 Carboxylicacid Dsrpl

Compound 161
  CheckMol                        TMF02:r0:m0
MF=C9H13NO2 MW=167.21
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4204   -0.4498   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7163   -1.9057   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5211    0.5681   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.3554    2.0714   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9770    0.2722   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.7166    2.6987   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.0416    2.8289   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7109    1.5861   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    4.5807   -1.0889   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0298    4.3439   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2722    2.0832   -0.0000 C   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 02  0  1  0  0
  5  8  1  0  0  0  0
  6  9 01  0  1  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  7  9 01  0  1  0  0
M  END

2-methyl-4-propan-2-yl-1h-pyrrole-3-carboxylicacid

₹ 0.00 0.00

Chemical Name - 2-methyl-4-propan-2-yl-1h-pyrrole-3-carboxylicacid
Mol Weight - 167.207
Smiles - CC(C)c1c[nH]c(C)c1C(O)=O

Property Name	Property Value
Mol Name	2-methyl-4-propan-2-yl-1h-pyrrole-3-carboxylicacid
Molweight	167.207
Monoisotopic Mass	167.094629
Clogp	1.4521
Clogs	-1.892
H Acceptors	3
H Donors	2
Total Surface Area	136.21
Relative Psa	0.29462
Polar Surface Area	53.09
Druglikeness	1.8812
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.54894
Molecular Complexity	0.72612
Fragments	1
Non H Atoms	12
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3 Atoms	5
Symmetric Atoms	1
Aromatic Nitrogens	1
Acidic Oxygens	1
Smiles	CC(C)c1c[nH]c(C)c1C(O)=O
InChIKey	InChI=1S/C9H13NO2/c1-5(2)7-4-10-6(3)8(7)9(11)12/h4-5,10H,1-3H3,(H,11,12)
InChI	LTVCHIWXEGUZJN-UHFFFAOYSA-N

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2-methyl-4-propan-2-yl-1h-pyrrole-3-carboxylicacid