Chem 5 Methyl Nicotinic Acid Pacific

Compound 99
  CheckMol                        TMF02:r0:m0
MF=C7H7NO2 MW=137.14
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4974   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3311   -2.2462   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2835   -2.2462   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5789   -1.4737   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2716   -3.7436   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8743   -2.2224   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5670   -4.4804   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8625   -3.7198   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5552   -5.9779   -0.0000 C   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
  8 10  1  0  0  0  0
  8  9 01  0  1  0  0
M  END

5 Methyl Nicotinic Acid

₹ 0.00 0.00

Chemical Name - 5 Methyl Nicotinic Acid
Mol Weight - 137.138
Smiles - Cc1cc(C(O)=O)cnc1

Property Name	Property Value
Mol Name	5 Methyl Nicotinic Acid
Molweight	137.138
Monoisotopic Mass	137.047679
Clogp	0.4877
Clogs	-1.178
H Acceptors	3
H Donors	1
Total Surface Area	108.38
Relative Psa	0.34241
Polar Surface Area	50.19
Druglikeness	-1.5864
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.3819
Molecular Complexity	0.6868
Fragments	1
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Aromatic Nitrogens	1
Acidic Oxygens	1
Smiles	Cc1cc(C(O)=O)cnc1
InChIKey	InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)
InChI	DJDHHXDFKSLEQY-UHFFFAOYSA-N

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5 Methyl Nicotinic Acid