Chem 3 Iodo 4 Phenylquinoline Dsrpl

Compound 342
  CheckMol                        TMF02:r0:m0
MF=C15H10IN MW=331.16
 17 19  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3137   -0.7338   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3255   -2.2250   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6274    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6392   -2.9706   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9706   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9411   -0.7101   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9529   -2.2013   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6510   -4.4618   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4618   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2545   -2.2132   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2666   -2.9351   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9647   -5.1956   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2427   -5.2074   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5445   -2.9588   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2784   -4.4263   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5327   -4.4500   -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
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8 01  0  2  0  0
  5  9 02  0  1  0  0
  6 10 02  0  1  0  0
  6 11 01  0  1  0  0
  8 12 02  0  1  0  0
  9 13 01  0  1  0  0
 10 14 01  0  1  0  0
 11 15 02  0  1  0  0
 12 16 01  0  1  0  0
 14 17 02  0  1  0  0
  7  8 01  0  1  0  0
 13 16 02  0  1  0  0
 15 17 01  0  1  0  0
M  END

3-iodo-4-phenylquinoline

₹ 0.00 0.00

Chemical Name - 3-iodo-4-phenylquinoline
Mol Weight - 331.151
Smiles - Ic1c(-c2ccccc2)c2ccccc2nc1

Property Name	Property Value
Mol Name	3-iodo-4-phenylquinoline
Molweight	331.151
Monoisotopic Mass	330.985797
Clogp	4.0719
Clogs	-5.424
H Acceptors	1
Total Surface Area	192.66
Relative Psa	0.05694
Polar Surface Area	12.89
Druglikeness	-0.56411
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.52941
Molecular Flexibility	0.25171
Molecular Complexity	0.75903
Fragments	1
Non H Atoms	17
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Symmetric Atoms	2
Aromatic Nitrogens	1
Smiles	Ic1c(-c2ccccc2)c2ccccc2nc1
InChIKey	InChI=1S/C15H10IN/c16-13-10-17-14-9-5-4-8-12(14)15(13)11-6-2-1-3-7-11/h1-10H
InChI	WDAMIPUMSUOMEY-UHFFFAOYSA-N

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3-iodo-4-phenylquinoline