Chem 2 6 Diethyl Aniline Pacific

Compound 117
  CheckMol                        TMF02:r0:m0
MF=C10H15N MW=149.24
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4939   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2805   -2.2408   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3279   -2.2290   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2686   -3.7347   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5728   -1.4820   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3398   -3.7229   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6440   -1.4583   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4698   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8652   -2.2171   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9600   -2.1934   -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
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  4  8  1  0  0  0  0
  5  9 02  0  1  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7  9 01  0  1  0  0
M  END

2, 6 Diethyl Aniline

₹ 0.00 0.00

Chemical Name - 2, 6 Diethyl Aniline
Mol Weight - 149.236
Smiles - CCc1cccc(CC)c1N

Property Name	Property Value
Mol Name	2, 6 Diethyl Aniline
Molweight	149.236
Monoisotopic Mass	149.120449
Clogp	2.5013
Clogs	-2.698
H Acceptors	1
H Donors	1
Total Surface Area	133.82
Relative Psa	0.11411
Polar Surface Area	26.02
Druglikeness	-2.223
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Shape Index	0.63636
Molecular Flexibility	0.36143
Molecular Complexity	0.65917
Fragments	1
Non H Atoms	11
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	5
Symmetric Atoms	4
Amines	1
Aromatic Amines	1
Smiles	CCc1cccc(CC)c1N
InChIKey	InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3
InChI	FOYHNROGBXVLLX-UHFFFAOYSA-N

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1 - 2, 6 Diethyl Aniline
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2, 6 Diethyl Aniline