Compound 196
  CheckMol                        TMF02:r0:m0
MF=C10H7NO MW=157.17
 12 13  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3089    0.7547   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6177    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6295   -1.4621   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9266    0.7782   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9384   -2.2050   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2354    0.0472   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2472   -1.4386   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9501   -3.6907   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5561   -2.1696   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2590   -4.4218   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5679   -3.6554   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4 02  0  1  0  0
  3  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8 01  0  2  0  0
  6  9 02  0  1  0  0
  8 10 02  0  1  0  0
  9 11 01  0  1  0  0
 10 12 01  0  1  0  0
  7  8 01  0  1  0  0
 11 12 02  0  1  0  0
M  END

2D Structure

7-Formylisoquinoline

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Chemical Name - 7-Formylisoquinoline
Mol Weight - 157.172
Smiles - O=Cc1cc2cnccc2cc1

Property Name	Property Value
Mol Name	7-Formylisoquinoline
Molweight	157.172
Monoisotopic Mass	157.052764
Clogp	1.7864
Clogs	-2.751
H Acceptors	2
Total Surface Area	126.16
Relative Psa	0.19031
Polar Surface Area	29.96
Druglikeness	-3.8813
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	high
Shape Index	0.66667
Molecular Flexibility	0.20631
Molecular Complexity	0.67959
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Aromatic Nitrogens	1
Smiles	O=Cc1cc2cnccc2cc1
InChIKey	InChI=1S/C10H7NO/c12-7-8-1-2-9-3-4-11-6-10(9)5-8/h1-7H
InChI	QEAGQILEKLFCEK-UHFFFAOYSA-N

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1 — 7-Formylisoquinoline | 2 — 7-Formylisoquinoline