Chem 2367 Tetrahydro 1h5h Benzoijquinolizine Dsrpl

Compound 251
  CheckMol                        TMF02:r0:m0
MF=C12H15N MW=173.26
 13 15  0  7  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2908    0.7579   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3145    0.7579   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4921   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    2.2737   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5816    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3263    2.2737   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790   -2.2263   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5698    3.0316   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355    3.0316   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8724    0.7934   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5698   -1.4684   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8606    2.2974   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  2  0  0
  1  3  1  0  2  0  0
  1  4  1  0  2  0  0
  2  5 02  0  2  0  0
  2  6 01  0  2  0  0
  3  7  1  0  2  0  0
  4  8  1  0  2  0  0
  5  9 01  0  2  0  0
  5 10  1  0  2  0  0
  6 11 02  0  2  0  0
  6 12  1  0  2  0  0
  9 13 02  0  2  0  0
  7 10  1  0  2  0  0
  8 12  1  0  2  0  0
 11 13 01  0  2  0  0
M  END

2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizine

₹ 0.00 0.00

Chemical Name - 2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizine
Mol Weight - 173.258
Smiles - C1CN(CCC2)c3c2cccc3C1

Property Name	Property Value
Mol Name	2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizine
Molweight	173.258
Monoisotopic Mass	173.120449
Clogp	2.6234
Clogs	-2.89
H Acceptors	1
Total Surface Area	139.12
Relative Psa	0.025518
Polar Surface Area	3.24
Druglikeness	1.4311
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.46154
Molecular Flexibility	0.19583
Molecular Complexity	0.68861
Fragments	1
Non H Atoms	13
Non Ch Atoms	1
Electronegative Atoms	1
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	7
Symmetric Atoms	5
Amines	1
Aromatic Amines	1
Smiles	C1CN(CCC2)c3c2cccc3C1
InChIKey	InChI=1S/C12H15N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1,4-5H,2-3,6-9H2
InChI	DZFWNZJKBJOGFQ-UHFFFAOYSA-N

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1 - 2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizine
2 - 2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizine

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2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizine