Compound 16
  CheckMol                        TMF02:r0:m0
MF=C12H11NO MW=185.23
 14 15  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2853    0.7547   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2735    2.2640   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5706    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354    3.0305   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5588    3.0187   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8560    0.7783   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0472    4.5399   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3443    2.2994   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8442    2.2758   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3561    5.3064   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6532    3.0659   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1295    3.0305   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6650    4.5753   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3 01  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
  5  8 02  0  1  0  0
  5  9 01  0  1  0  0
  6 10 02  0  1  0  0
  8 11 01  0  1  0  0
  9 12 02  0  1  0  0
 10 13  1  0  0  0  0
 11 14 02  0  1  0  0
  7 10 01  0  1  0  0
 12 14 01  0  1  0  0
M  END

2D Structure

Pirfenidone

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Chemical Name - Pirfenidone
Mol Weight - 185.225
Smiles - CC(C=C1)=CN(c2ccccc2)C1=O

Property Name	Property Value
Mol Name	Pirfenidone
Molweight	185.225
Monoisotopic Mass	185.084064
Clogp	1.8237
Clogs	-2.71
H Acceptors	2
Total Surface Area	151.28
Relative Psa	0.10966
Polar Surface Area	20.31
Druglikeness	1.0723
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.33388
Molecular Complexity	0.64441
Fragments	1
Non H Atoms	14
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Symmetric Atoms	2
Amides	1
Smiles	CC(C=C1)=CN(c2ccccc2)C1=O
InChIKey
InChI	C12H11NO

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1 — Pirfenidone | 2 — Pirfenidone