Compound 4
  CheckMol                        TMF02:r0:m0
MF=C9H9Cl2NO MW=218.08
 13 13  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5129   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3238    2.2693   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2765    2.2693   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6358    1.5365   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3356    3.7822   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2647    3.7822   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0473    4.5387   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5530    4.5387   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8413    3.8059   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8295    2.3166   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1297    4.5623   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4180    3.8295   -0.0000 C   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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

2D Structure

Propanil

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Chemical Name - Propanil
Mol Weight - 218.082
Smiles - CCC(Nc(cc1)cc(Cl)c1Cl)=O

Property Name	Property Value
Mol Name	Propanil
Molweight	218.082
Monoisotopic Mass	217.006118
Clogp	3.0297
Clogs	-3.7
H Acceptors	2
H Donors	1
Total Surface Area	159.33
Relative Psa	0.15377
Polar Surface Area	29.1
Druglikeness	1.8121
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.69231
Molecular Flexibility	0.37213
Molecular Complexity	0.65854
Fragments	1
Non H Atoms	13
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Amides	1
Smiles	CCC(Nc(cc1)cc(Cl)c1Cl)=O
InChIKey	InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
InChI	LFULEKSKNZEWOE-UHFFFAOYSA-N

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1 — Propanil | 2 — Propanil