Chem 6 Chloro 1h Indole 2 Carboxylicacid Dsrpl

Compound 234
  CheckMol                        TMF02:r0:m0
MF=C9H6ClNO2 MW=195.60
 13 14  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7509    1.3023   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2526    1.3140   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0235    2.6045   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.0152    2.6163   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.7743    3.9068   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.4817    2.9330   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2878    3.9185   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.6459    4.4230   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.2967    5.0331   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.9482    5.1739   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9599    6.6756   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2505    4.4348   -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 01  0  1  0  0
  5  8 02  0  2  0  0
  7  9 01  0  1  0  0
  8 10 01  0  1  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  6  8 01  0  1  0  0
  9 10 02  0  1  0  0
M  END

6-chloro-1H-indole-2-carboxylicacid

₹ 0.00 0.00

Chemical Name - 6-chloro-1H-indole-2-carboxylicacid
Mol Weight - 195.605
Smiles - OC(c1cc(ccc(Cl)c2)c2[nH]1)=O

Property Name	Property Value
Mol Name	6-chloro-1H-indole-2-carboxylicacid
Molweight	195.605
Monoisotopic Mass	195.008706
Clogp	1.8441
Clogs	-2.914
H Acceptors	3
H Donors	2
Total Surface Area	136.95
Relative Psa	0.29303
Polar Surface Area	53.09
Druglikeness	2.0565
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.61538
Molecular Flexibility	0.18874
Molecular Complexity	0.72141
Fragments	1
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	OC(c1cc(ccc(Cl)c2)c2[nH]1)=O
InChIKey	InChI=1S/C9H6ClNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)
InChI	BKPSJOSKWKTWAG-UHFFFAOYSA-N

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6-chloro-1H-indole-2-carboxylicacid