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Compound 68
  CheckMol                        TMF02:r0:m0
MF=C15H14FN3O3 MW=303.29
 22 24  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8523    1.2429   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.3320    1.1245   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.2131    2.6161   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.1842    2.3675   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.0654    3.8590   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.6284    2.0242   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5450    3.7406   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.9243    0.5682   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8003    2.9593   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    5.1019   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.8121    4.4745   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1379    2.2964   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6639    5.4215   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.4503    6.4158   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.8060    6.9248   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.4447    7.5404   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    6.0962    7.6824   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    9.1976   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3865    6.9367   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6768    7.6943   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9670    6.9485   -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 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7  1  0  1  0  0
  5  8 02  0  2  0  0
  7  9  2  0  0  0  0
  7 10  1  0  1  0  0
  8 11  1  0  1  0  0
 10 12  1  0  1  0  0
 10 13  1  0  0  0  0
 11 14 01  0  2  0  0
 11 15 01  0  1  0  0
 14 16 02  0  1  0  0
 15 17 02  0  1  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  6  8 01  0  1  0  0
 12 14  1  0  1  0  0
 16 17 01  0  1  0  0
M  END

Flumazenil

₹ 0.00 0.00

Chemical Name - Flumazenil
Mol Weight - 303.292
Smiles - CCOC(c(nc1)c(CN2C)n1-c(ccc(F)c1)c1C2=O)=O

Property Name	Property Value
Mol Name	Flumazenil
Molweight	303.292
Monoisotopic Mass	303.10192
Clogp	0.9739
Clogs	-4.403
H Acceptors	6
Total Surface Area	221.67
Relative Psa	0.25926
Polar Surface Area	64.43
Druglikeness	0.31705
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.54545
Molecular Flexibility	0.23522
Molecular Complexity	0.91193
Fragments	1
Non H Atoms	22
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3 Atoms	5
Amides	1
Aromatic Nitrogens	2
Smiles	CCOC(c(nc1)c(CN2C)n1-c(ccc(F)c1)c1C2=O)=O
InChIKey	InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
InChI	OFBIFZUFASYYRE-UHFFFAOYSA-N

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Flumazenil