Chem 6 Fluorobenzocisoxazole 3 Carbonitrile Dsrpl

Compound 177
  CheckMol                        TMF02:r0:m0
MF=C8H3FN2O MW=162.12
 12 13  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3097   -0.7316   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6194    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3215   -2.2183   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9291   -0.7080   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6312   -2.9498   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3686   -0.2360   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9409   -2.1947   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.2654   -1.4395   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3804   -2.6430   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.8524   -4.0589   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3244   -5.4748   -0.0000 N   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 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  5  8 01  0  2  0  0
  7  9 01  0  1  0  0
  8 10 02  0  1  0  0
 10 11  1  0  0  0  0
 11 12  3  0  0  0  0
  6  8 01  0  1  0  0
  9 10 01  0  1  0  0
M  END

6-fluorobenzo[c]isoxazole-3-carbonitrile

₹ 0.00 0.00

Chemical Name - 6-fluorobenzo[c]isoxazole-3-carbonitrile
Mol Weight - 162.123
Smiles - N#Cc1c(ccc(F)c2)c2no1

Property Name	Property Value
Mol Name	6-fluorobenzo[c]isoxazole-3-carbonitrile
Molweight	162.123
Monoisotopic Mass	162.022941
Clogp	1.3772
Clogs	-3.325
H Acceptors	3
Total Surface Area	124.37
Relative Psa	0.31069
Polar Surface Area	49.82
Druglikeness	-5.8488
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Shape Index	0.66667
Molecular Complexity	0.78189
Fragments	1
Non H Atoms	12
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Aromatic Nitrogens	1
Smiles	N#Cc1c(ccc(F)c2)c2no1
InChIKey	InChI=1S/C8H3FN2O/c9-5-1-2-6-7(3-5)11-12-8(6)4-10/h1-3H
InChI	FKTFISCMINHKBR-UHFFFAOYSA-N

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6-fluorobenzo[c]isoxazole-3-carbonitrile