Chem 25 Dichloro Isonicotinic Acid AlkaliMetal

Compound 244
  CheckMol                        TMF02:r0:m0
MF=C6H3Cl2NO2 MW=192.00
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3067   -0.7299   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3185   -2.2132   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6135    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6252   -2.9549   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9202   -0.7063   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9320   -2.1897   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2269    0.0471   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2387   -2.9195   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2387    1.5539   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5336   -0.6946   -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  1  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  6  7 01  0  1  0  0
M  END

2,5-Dichloro Isonicotinic Acid

₹ 0.00 0.00

Chemical Name - 2,5-Dichloro Isonicotinic Acid
Mol Weight - 192.001
Smiles - OC(c1cc(Cl)ncc1Cl)=O

Property Name	Property Value
Mol Name	2,5-Dichloro Isonicotinic Acid
Molweight	192.001
Monoisotopic Mass	190.954083
Clogp	1.4532
Clogs	-2.069
H Acceptors	3
H Donors	1
Total Surface Area	126.96
Relative Psa	0.2923
Polar Surface Area	50.19
Druglikeness	-1.4266
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Shape Index	0.54545
Molecular Flexibility	0.35822
Molecular Complexity	0.76573
Fragments	1
Non H Atoms	11
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Aromatic Nitrogens	1
Acidic Oxygens	1
Smiles	OC(c1cc(Cl)ncc1Cl)=O
InChIKey	InChI=1S/C6H3Cl2NO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H,10,11)
InChI	GFOVTTQVBDEYPP-UHFFFAOYSA-N

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2,5-Dichloro Isonicotinic Acid