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Compound 90
  CheckMol                        TMF02:r0:m0
MF=C16H14F3N5O MW=349.32
 25 27  0  3  1               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2820    0.7527   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5640    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2703    2.2582   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8461    0.7763   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5523   -1.4584   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5523    3.0110   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8343    2.2818   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2467   -2.1877   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7755   -2.4347   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2350   -3.6696   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5288   -2.9169   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0588   -1.4349   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5170   -4.3989   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9754   -1.9524   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3644   -2.1641   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2115   -5.1399   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7990   -5.1281   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.0928   -2.8934   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.5290   -3.6344   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7405   -1.5408   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.0810   -4.3753   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.9992   -3.9284   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7520   -2.6346   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    6.3631   -5.1046   -0.0000 F   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
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  6 10  1  6  0  0  0
  9 11  1  0  0  0  0
  9 12  1  1  0  0  0
  9 13  1  0  0  0  0
 12 14 02  0  1  0  0
 12 15 01  0  1  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18 01  0  1  0  0
 15 19 02  0  1  0  0
 16 20 01  0  1  0  0
 16 21 01  0  1  0  0
 18 22 02  0  1  0  0
 20 23 02  0  1  0  0
 21 24 02  0  1  0  0
 22 25  1  0  0  0  0
  7  8 01  0  1  0  0
 19 22 01  0  1  0  0
 23 24 01  0  1  0  0
M  END

Voriconazole

₹ 0.00 0.00

Chemical Name - Voriconazole
Mol Weight - 349.315
Smiles - C[C@H]([C@](Cn1ncnc1)(c(ccc(F)c1)c1F)O)c(ncnc1)c1F

Property Name	Property Value
Mol Name	Voriconazole
Molweight	349.315
Monoisotopic Mass	349.115044
Clogp	1.4751
Clogs	-3.231
H Acceptors	6
H Donors	1
Total Surface Area	251.35
Relative Psa	0.25403
Polar Surface Area	76.72
Druglikeness	4.0837
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.44
Molecular Flexibility	0.46052
Molecular Complexity	0.8762
Fragments	1
Non H Atoms	25
Non Ch Atoms	9
Electronegative Atoms	9
Stereo Centers	2
Rotatable Bonds	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3 Atoms	5
Aromatic Nitrogens	5
Smiles	C[C@H]([C@](Cn1ncnc1)(c(ccc(F)c1)c1F)O)c(ncnc1)c1F
InChIKey	InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
InChI	BCEHBSKCWLPMDN-MGPLVRAMSA-N

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Voriconazole