Chem 4 Amino 35 Dichlorobenzoic Acid

Compound 31
  CheckMol                        TMF02:r0:m0
MF=C7H5Cl2NO2 MW=206.03
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090   -0.7312   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3208   -2.2171   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6180    0.0354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354   -2.9600   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6298   -2.9482   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9270   -0.7076   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6416   -4.4341   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9388   -2.1935   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2360    0.0472   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2478    1.5567   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5450   -0.6958   -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  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  6  8  1  0  0  0  0
  6  9 02  0  1  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7  9 01  0  1  0  0
M  END

4-Amino-3,5-Dichlorobenzoic Acid

₹ 0.00 0.00

Chemical Name - 4-Amino-3,5-Dichlorobenzoic Acid
Mol Weight - 206.028
Smiles - Nc(c(Cl)cc(C(O)=O)c1)c1Cl

Property Name	Property Value
Mol Name	4-Amino-3,5-Dichlorobenzoic Acid
Molweight	206.028
Monoisotopic Mass	204.969733
Clogp	1.6794
Clogs	-3.177
H Acceptors	3
H Donors	2
Total Surface Area	136.72
Relative Psa	0.30288
Polar Surface Area	63.32
Druglikeness	-1.3949
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.33783
Molecular Complexity	0.71278
Fragments	1
Non H Atoms	12
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Symmetric Atoms	3
Amines	1
Aromatic Amines	1
Acidic Oxygens	1
Smiles	Nc(c(Cl)cc(C(O)=O)c1)c1Cl
InChIKey	InChI=1S/C7H5Cl2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)
InChI	UHXYYTSWBYTDPD-UHFFFAOYSA-N

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4-Amino-3,5-Dichlorobenzoic Acid