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Compound 109
  CheckMol                        TMF02:r0:m0
MF=C10H9N5O MW=215.21
 16 18  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
    1.3601   -0.6032   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.0171   -1.0999   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.1945   -2.0815   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6492    0.1656   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2838   -2.3890   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9383   -0.5795   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2274    0.1892   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.5165   -0.5558   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.2155    1.7030   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.8056    0.2129   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.0920    2.7201   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    6.5046    2.4718   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7937    1.7267   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    4.6952    4.1038   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.1853    3.9501   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
  1  2 01  0  1  0  0
  1  3 01  0  1  0  0
  2  4 02  0  1  0  0
  2  5  1  0  0  0  0
  3  6 02  0  1  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9 02  0  1  0  0
  8 10 01  0  1  0  0
  9 11 01  0  1  0  0
 10 12 01  0  1  0  0
 10 13 02  0  2  0  0
 11 14 02  0  1  0  0
 12 15 01  0  1  0  0
 13 16 01  0  1  0  0
  4  6 01  0  1  0  0
 13 14 01  0  1  0  0
 15 16 02  0  1  0  0
M  END

Kinetin

₹ 0.00 0.00

Chemical Name - Kinetin
Mol Weight - 215.215
Smiles - C(c1ccco1)Nc1ncnc2c1[nH]cn2

Property Name	Property Value
Mol Name	Kinetin
Molweight	215.215
Monoisotopic Mass	215.08071
Clogp	0.5841
Clogs	-3.258
H Acceptors	6
H Donors	2
Total Surface Area	168.38
Relative Psa	0.4304
Polar Surface Area	79.63
Druglikeness	0.62438
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Shape Index	0.5625
Molecular Flexibility	0.45255
Molecular Complexity	0.72942
Fragments	1
Non H Atoms	16
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Sp3 Atoms	1
Aromatic Nitrogens	4
Basic Nitrogens	1
Smiles	C(c1ccco1)Nc1ncnc2c1[nH]cn2
InChIKey	InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
InChI	QANMHLXAZMSUEX-UHFFFAOYSA-N

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Kinetin