Chem Ethyl6 Chloro 1h Indole 2 Carboxylate Dsrpl

Compound 304
  CheckMol                        TMF02:r0:m0
MF=C11H10ClNO2 MW=223.66
 15 16  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2433    1.3294   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2433   -1.2819   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.7389    1.3412   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.7389   -1.2700   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.7359    2.4688   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    4.4748    0.0475   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.1009    1.8635   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.9347    0.3680   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.3947    2.6232   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3828    4.1424   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6884    1.8754   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9822    2.6350   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2760    1.8872   -0.0000 C   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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6  8 01  0  1  0  0
  9 10 02  0  1  0  0
M  END

ethyl6-chloro-1H-indole-2-carboxylate

₹ 0.00 0.00

Chemical Name - ethyl6-chloro-1H-indole-2-carboxylate
Mol Weight - 223.658
Smiles - CCOC(c1cc(ccc(Cl)c2)c2[nH]1)=O

Property Name	Property Value
Mol Name	ethyl6-chloro-1H-indole-2-carboxylate
Molweight	223.658
Monoisotopic Mass	223.040006
Clogp	2.6783
Clogs	-3.342
H Acceptors	3
H Donors	1
Total Surface Area	166.62
Relative Psa	0.22224
Polar Surface Area	42.09
Druglikeness	-2.3909
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.24979
Molecular Complexity	0.74499
Fragments	1
Non H Atoms	15
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	3
Aromatic Nitrogens	1
Smiles	CCOC(c1cc(ccc(Cl)c2)c2[nH]1)=O
InChIKey	InChI=1S/C11H10ClNO2/c1-2-15-11(14)10-5-7-3-4-8(12)6-9(7)13-10/h3-6,13H,2H2,1H3
InChI	FSMZLIBWSAMADK-UHFFFAOYSA-N

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ethyl6-chloro-1H-indole-2-carboxylate