Compound 24
  CheckMol                        TMF02:r0:m0
MF=C12H16N3O3PS MW=313.31
 20 21  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5101   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236    3.0203   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2742    0.7669   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3214    0.7669   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2624    3.7871   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5602    1.5219   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6309    1.5219   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4040    5.2855   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.6191    3.1854   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8461    0.7787   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9405    0.7787   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8551    5.6040   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.6102    4.3063   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.4568    6.9844   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.9315    7.1496   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5602    8.2114   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.5332    8.5299   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.1619    9.5917   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.6366    9.7569   -0.0000 C   0 00  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
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9 02  0  1  0  0
  6 10 01  0  1  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13 01  0  1  0  0
 10 14 02  0  1  0  0
 13 15  1  0  0  0  0
 15 16 02  0  1  0  0
 15 17 01  0  1  0  0
 16 18 01  0  1  0  0
 17 19 02  0  1  0  0
 18 20 02  0  1  0  0
 13 14 01  0  1  0  0
 19 20 01  0  1  0  0
M  END

2D Structure

Triazophos

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Chemical Name - Triazophos
Mol Weight - 313.317
Smiles - CCOP(OCC)(Oc(nc1)nn1-c1ccccc1)=S

Property Name	Property Value
Mol Name	Triazophos
Molweight	313.317
Monoisotopic Mass	313.064999
Clogp	2.9552
Clogs	-4.141
H Acceptors	6
Total Surface Area	240.51
Relative Psa	0.37749
Polar Surface Area	100.3
Druglikeness	-6.3728
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.6
Molecular Flexibility	0.52538
Molecular Complexity	0.67534
Fragments	1
Non H Atoms	20
Non Ch Atoms	8
Electronegative Atoms	8
Rotatable Bonds	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3 Atoms	9
Symmetric Atoms	5
Aromatic Nitrogens	3
Smiles	CCOP(OCC)(Oc(nc1)nn1-c1ccccc1)=S
InChIKey	InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChI	AMFGTOFWMRQMEM-UHFFFAOYSA-N

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