Chem 1 24 Difluoro Phenyl 2 1h 124 Triazole 1yl Ethanone Ncc

Compound 130
  CheckMol                        TMF02:r0:m0
MF=C10H7F2N3O MW=223.18
 16 17  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2901   -0.7338   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2783   -2.2252   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5802    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9708   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5684   -2.9708   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8704   -0.7102   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4622   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3493   -2.2133   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8585   -2.2133   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1605    0.0592   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6631   -2.9590   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0479   -2.3317   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.8288   -4.4385   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0658   -3.4324   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.3083   -4.7344   -0.0000 N   0 00  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
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10 02  0  1  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13 01  0  1  0  0
 12 14 01  0  1  0  0
 13 15 02  0  1  0  0
 14 16 02  0  1  0  0
  7 10 01  0  1  0  0
 15 16 01  0  1  0  0
M  END

1-(2,4-Difluoro Phenyl)-2-(1H-1,2,4-Triazole-1YL)

₹ 0.00 0.00

Chemical Name - 1-(2,4-Difluoro Phenyl)-2-(1H-1,2,4-Triazole-1YL) Ethanone
Mol Weight - 223.182
Smiles - O=C(Cn1ncnc1)c(ccc(F)c1)c1F
InChI - XCHRPVARHBCFMJ-UHFFFAOYSA-N
InChIKey - InChI=1S/C10H7F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2

Property Name	Property Value
Mol Name	1-(2,4-Difluoro Phenyl)-2-(1H-1,2,4-Triazole-1YL) Ethanone
Molweight	223.182
Monoisotopic Mass	223.055718
Clogp	0.6094
Clogs	-2.709
H Acceptors	4
Total Surface Area	163.95
Relative Psa	0.25526
Polar Surface Area	47.78
Druglikeness	2.582
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Shape Index	0.625
Molecular Flexibility	0.46423
Molecular Complexity	0.70389
Fragments	1
Non H Atoms	16
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3 Atoms	1
Aromatic Nitrogens	3
Smiles	O=C(Cn1ncnc1)c(ccc(F)c1)c1F
InChIKey	InChI=1S/C10H7F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2
InChI	XCHRPVARHBCFMJ-UHFFFAOYSA-N

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1 - 1-(2,4-Difluoro Phenyl)-2-(1H-1,2,4-Triazole-1YL) Ethanone
2 - 1-(2,4-Difluoro Phenyl)-2-(1H-1,2,4-Triazole-1YL) Ethanone

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1-(2,4-Difluoro Phenyl)-2-(1H-1,2,4-Triazole-1YL)