Chem Terbuthylazin Meghamani

Compound 12
  CheckMol                        TMF02:r0:m0
MF=C9H16ClN5 MW=229.71
 15 15  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2966   -0.7494   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2847   -2.2482   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5931    0.0119   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5812   -2.9857   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8897   -0.7375   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8778   -2.2244   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5693   -4.4844   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1863    0.0238   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8659   -5.2338   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4828   -0.7137   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6153   -3.9135   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -5.9832   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0927   -6.5304   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7794    0.0476   -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 02  0  1  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
  6  7 01  0  1  0  0
M  END

Terbuthylazin

₹ 0.00 0.00

Chemical Name - Terbuthylazin
Mol Weight - 229.714
Smiles - CCNc1nc(Cl)nc(NC(C)(C)C)n1

Property Name	Property Value
Mol Name	Terbuthylazin
Molweight	229.714
Monoisotopic Mass	229.109422
Clogp	2.4063
Clogs	-3.243
H Acceptors	5
H Donors	2
Total Surface Area	181.09
Relative Psa	0.3083
Polar Surface Area	62.73
Druglikeness	0.83216
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.6
Molecular Flexibility	0.55092
Molecular Complexity	0.57248
Fragments	1
Non H Atoms	15
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Symmetric Atoms	2
Aromatic Nitrogens	3
Smiles	CCNc1nc(Cl)nc(NC(C)(C)C)n1
InChIKey	InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)
InChI	FZXISNSWEXTPMF-UHFFFAOYSA-N

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Terbuthylazin