Chem 5 Nitrosalicylic Acid 2card

Compound 8
  CheckMol                        TMF02:r0:m0
MF=C7H5NO5 MW=183.12
 13 13  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.7543   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200    2.2629   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6165    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6283   -1.4733   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9248    0.7779   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9366   -2.2040   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2330    0.0471   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2448   -1.4497   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9483   -3.6890   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5531   -2.1804   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2566   -4.4316   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6637   -4.4316   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 02  0  1  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  8  9 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

5-Nitrosalicylic Acid

₹ 0.00 0.00

Chemical Name - 5-Nitrosalicylic Acid
Mol Weight - 183.119
Smiles - [O-][N+](c(cc1)cc(C(O)=O)c1O)=O

Property Name	Property Value
Mol Name	5-Nitrosalicylic Acid
Molweight	183.119
Monoisotopic Mass	183.016774
Clogp	-0.1226
Clogs	-1.793
H Acceptors	6
H Donors	2
Total Surface Area	127.38
Relative Psa	0.54687
Polar Surface Area	103.35
Druglikeness	-6.9461
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.53846
Molecular Flexibility	0.46237
Molecular Complexity	0.71045
Fragments	1
Non H Atoms	13
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Acidic Oxygens	2
Smiles	[O-][N+](c(cc1)cc(C(O)=O)c1O)=O
InChIKey	InChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)
InChI	PPDRLQLKHRZIJC-UHFFFAOYSA-N

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5-Nitrosalicylic Acid