Chem 57 Di Iodo 8 Hydroxyquinoline

Compound 18
  CheckMol                        TMF02:r0:m0
MF=C9H5I2NO MW=396.95
 13 14  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5048   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3167    2.2572   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2697    2.2572   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6216    1.5283   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285    3.7620   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2579    3.7620   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6334    4.5262   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0470    4.5144   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5394    4.5144   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6452    6.0310   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0588    6.0192   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3637    6.7834   -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  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  6  8 02  0  1  0  0
  6  9 01  0  2  0  0
  7 10  1  0  0  0  0
  8 11 01  0  1  0  0
  9 12 02  0  1  0  0
 11 13 02  0  1  0  0
  7  9 01  0  1  0  0
 12 13 01  0  1  0  0
M  END

5,7 Di-Iodo 8 Hydroxyquinoline

₹ 0.00 0.00

Chemical Name - 5,7 Di-Iodo 8 Hydroxyquinoline
Mol Weight - 396.945
Smiles - Oc(c1ncccc1c(I)c1)c1I

Property Name	Property Value
Mol Name	5,7 Di-Iodo 8 Hydroxyquinoline
Molweight	396.945
Monoisotopic Mass	396.84606
Clogp	2.5041
Clogs	-4.058
H Acceptors	2
H Donors	1
Total Surface Area	165.53
Relative Psa	0.14541
Polar Surface Area	33.12
Druglikeness	-0.72471
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.53846
Molecular Complexity	0.74499
Fragments	1
Non H Atoms	13
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	1
Aromatic Nitrogens	1
Smiles	Oc(c1ncccc1c(I)c1)c1I
InChIKey	InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
InChI	UXZFQZANDVDGMM-UHFFFAOYSA-N

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5,7 Di-Iodo 8 Hydroxyquinoline