Chem 3 Amino 4 Chlorobenzoic Acid Sajjan

Compound 26
  CheckMol                        TMF02:r0:m0
MF=C7H6ClNO2 MW=171.58
 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
   -1.3028    0.7512   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3145    2.2535   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6056    0.0117   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0352    3.0046   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6173    3.0046   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9084    0.7746   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9201    2.2769   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2229    3.0281   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2346    4.5304   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5257    2.2887   -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 02  0  1  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

3-Amino-4-chlorobenzoic acid

₹ 0.00 0.00

Chemical Name - 3-Amino-4-chlorobenzoic acid
Mol Weight - 171.583
Smiles - Nc(cc(cc1)C(O)=O)c1Cl

Property Name	Property Value
Mol Name	3-Amino-4-chlorobenzoic acid
Molweight	171.583
Monoisotopic Mass	171.008706
Clogp	1.0734
Clogs	-2.441
H Acceptors	3
H Donors	2
Total Surface Area	121.3
Relative Psa	0.34139
Polar Surface Area	63.32
Druglikeness	-1.3949
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Shape Index	0.63636
Molecular Flexibility	0.35822
Molecular Complexity	0.71107
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Amines	1
Aromatic Amines	1
Acidic Oxygens	1
Smiles	Nc(cc(cc1)C(O)=O)c1Cl
InChIKey	InChI=1S/C7H6ClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
InChI	DMGFVJVLVZOSOE-UHFFFAOYSA-N

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3-Amino-4-chlorobenzoic acid