Chem 5 Bromoindole 2 Carboxylic Acid

Compound 71
  CheckMol                        TMF02:r0:m0
MF=C9H6BrNO2 MW=240.06
 13 14  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5044    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2566    1.3163   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2566   -1.2693   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7610    1.3281   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7610   -1.2576   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.5131    0.0470   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.7717    2.4446   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.9823    0.3643   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -6.1468    1.8452   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.4514    2.5974   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4632    4.1018   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7560    1.8687   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  2  0  0
  5  8 01  0  1  0  0
  7  9 01  0  1  0  0
  8 10 02  0  1  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  6  7 01  0  1  0  0
  9 10 01  0  1  0  0
M  END

5 Bromoindole 2 Carboxylic Acid

₹ 0.00 0.00

Chemical Name - 5 Bromoindole 2 Carboxylic Acid
Mol Weight - 240.056
Smiles -

Property Name	Property Value
Mol Name	5 Bromoindole 2 Carboxylic Acid
Molweight	240.056
Monoisotopic Mass	238.95819
Clogp	1.9633
Clogs	-3.012
H Acceptors	3
H Donors	2
Total Surface Area	140.16
Relative Psa	0.28632
Polar Surface Area	53.09
Druglikeness	0.19838
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.61538
Molecular Flexibility	0.18874
Molecular Complexity	0.72141
Non H Atoms	13
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	1
Aromatic Nitrogens	1
Acidic Oxygens	1
Smiles

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5 Bromoindole 2 Carboxylic Acid