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Compound 15
  CheckMol                        TMF02:r0:m0
MF=C10H19N5S MW=241.35
 16 16  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    1.5106   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2864   -0.7435   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3218    2.2659   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2746    2.2659   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3336    3.7765   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2628    3.7765   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0472    4.5318   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6436    4.5436   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5492    4.5318   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9536    3.8119   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8355    3.8001   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2219    2.5256   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2635    3.0802   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7089    5.1219   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1219    4.5554   -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
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

Terbutryn

₹ 0.00 0.00

Chemical Name - Terbutryn
Mol Weight - 241.362
Smiles - CCNc1nc(SC)nc(NC(C)(C)C)n1

Property Name	Property Value
Mol Name	Terbutryn
Molweight	241.362
Monoisotopic Mass	241.136115
Clogp	2.2775
Clogs	-3.355
H Acceptors	5
H Donors	2
Total Surface Area	195.42
Relative Psa	0.37519
Polar Surface Area	88.03
Druglikeness	0.8646
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.5625
Molecular Flexibility	0.56286
Molecular Complexity	0.59634
Fragments	1
Non H Atoms	16
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	8
Symmetric Atoms	2
Aromatic Nitrogens	3
Smiles	CCNc1nc(SC)nc(NC(C)(C)C)n1
InChIKey	InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
InChI	IROINLKCQGIITA-UHFFFAOYSA-N

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Terbutryn