Chem 1234 Tetrahydro 4 Oxo Carbazole

Compound 9
  CheckMol                        TMF02:r0:m0
MF=C12H11NO MW=185.23
 14 16  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3146   -0.7461   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3264   -2.2383   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6291    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -3.2331   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6410   -2.9844   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9437   -0.7224   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8527   -4.5951   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2554   -3.0673   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3449   -4.4411   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9556   -2.2146   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0237   -5.8031   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.1317   -4.2753   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.5041   -5.6373   -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  1  0  0
  2  4  1  0  1  0  0
  3  5 01  0  1  0  0
  3  6 02  0  2  0  0
  4  7  1  0  1  0  0
  5  8 02  0  2  0  0
  5  9 01  0  1  0  0
  6 10 01  0  1  0  0
  6 11  1  0  1  0  0
  8 12 01  0  1  0  0
  9 13 02  0  1  0  0
 12 14 02  0  1  0  0
  7 11  1  0  1  0  0
  8 10 01  0  1  0  0
 13 14 01  0  1  0  0
M  END

1,2,3,4-Tetrahydro-4-oxo-carbazole

₹ 0.00 0.00

Chemical Name - 1,2,3,4-Tetrahydro-4-oxo-carbazole
Mol Weight - 185.225
Smiles - O=C(CCC1)c2c1[nH]c1c2cccc1

Property Name	Property Value
Mol Name	1,2,3,4-Tetrahydro-4-oxo-carbazole
Molweight	185.225
Monoisotopic Mass	185.084064
Clogp	2.359
Clogs	-3.438
H Acceptors	2
H Donors	1
Total Surface Area	142.96
Relative Psa	0.18907
Polar Surface Area	32.86
Druglikeness	-2.6076
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.080043
Molecular Complexity	0.79656
Fragments	1
Non H Atoms	14
Non Ch Atoms	2
Electronegative Atoms	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	3
Aromatic Nitrogens	1
Smiles	O=C(CCC1)c2c1[nH]c1c2cccc1
InChIKey	InChI=1S/C12H11NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-2,4-5,13H,3,6-7H2
InChI	DSXKDTZEIWTHRO-UHFFFAOYSA-N

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1,2,3,4-Tetrahydro-4-oxo-carbazole