Chem 3 Iodo N Phenylcarbazole Infi

Compound 141
  CheckMol                        TMF02:r0:m0
MF=C18H12IN MW=369.20
 20 23  0  7  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4743   -1.4230   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.5218   -2.5259   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.9567   -1.7195   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.0474   -3.9489   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4310   -3.1425   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4349   -4.2454   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.7827   -5.2415   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.6009   -5.7277   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.2372   -6.3444   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2413   -5.5380   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.9172   -6.4630   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.2135   -7.7674   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6919   -6.9610   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.2335   -5.6922   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.9291   -7.9572   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.6721   -8.0639   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.5499   -6.4274   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.2454   -8.6924   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.5617   -7.9216   -0.0000 C   0 00  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  2  0  0
  5  8 01  0  1  0  0
  7  9 01  0  1  0  0
  8 10 02  0  2  0  0
  8 11 01  0  1  0  0
  9 12  1  0  0  0  0
 10 13 01  0  1  0  0
 11 14 02  0  1  0  0
 12 15 02  0  1  0  0
 12 16 01  0  1  0  0
 13 17 02  0  1  0  0
 15 18 01  0  1  0  0
 16 19 02  0  1  0  0
 18 20 02  0  1  0  0
  6  7 01  0  1  0  0
  9 10 01  0  1  0  0
 14 17 01  0  1  0  0
 19 20 01  0  1  0  0
M  END

3-Iodo-N-phenylcarbazole

₹ 0.00 0.00

Chemical Name - 3-Iodo-N-phenylcarbazole
Mol Weight - 369.2
Smiles - Ic(cc1)cc(c2c3cccc2)c1n3-c1ccccc1

Property Name	Property Value
Mol Name	3-Iodo-N-phenylcarbazole
Molweight	369.2
Monoisotopic Mass	369.001447
Clogp	4.9154
Clogs	-7.947
H Acceptors	1
Total Surface Area	217.7
Relative Psa	0.031557
Polar Surface Area	4.93
Druglikeness	0.94864
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.17031
Molecular Complexity	0.85046
Fragments	1
Non H Atoms	20
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Symmetric Atoms	2
Aromatic Nitrogens	1
Smiles	Ic(cc1)cc(c2c3cccc2)c1n3-c1ccccc1
InChIKey	InChI=1S/C18H12IN/c19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12H
InChI	PJUAIXDOXUXBDR-UHFFFAOYSA-N

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3-Iodo-N-phenylcarbazole