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Compound 13
  CheckMol                        TMF02:r0:m0
MF=C9H17N5S MW=227.33
 15 15  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5088   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2848   -0.7426   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3202    2.2632   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2730    2.2632   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3320    3.7719   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2612    3.7719   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5263   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6404    4.5381   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5461    4.5263   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6521    6.0469   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8309    3.7955   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3673    6.8013   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9605    6.8131   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1157    4.5499   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8 02  0  1  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

Ametryn

₹ 0.00 0.00

Chemical Name - Ametryn
Mol Weight - 227.335
Smiles - CCNc1nc(SC)nc(NC(C)C)n1

Property Name	Property Value
Mol Name	Ametryn
Molweight	227.335
Monoisotopic Mass	227.120465
Clogp	1.8969
Clogs	-3.246
H Acceptors	5
H Donors	2
Total Surface Area	185.25
Relative Psa	0.39579
Polar Surface Area	88.03
Druglikeness	1.3861
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.6
Molecular Flexibility	0.47896
Molecular Complexity	0.58959
Fragments	1
Non H Atoms	15
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	7
Symmetric Atoms	1
Aromatic Nitrogens	3
Smiles	CCNc1nc(SC)nc(NC(C)C)n1
InChIKey	InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
InChI	RQVYBGPQFYCBGX-UHFFFAOYSA-N

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Ametryn