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Compound 78
  CheckMol                        TMF02:r0:m0
MF=C9H7NO MW=145.16
 11 12  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3003    0.7683   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.7424   -1.4657   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9717    0.6501   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.2081   -1.7731   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.7258   -2.5769   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.9646   -0.4610   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    4.6573   -3.1915   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.1750   -3.9953   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6407   -4.3027   -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 01  0  1  0  0
  3  5 02  0  1  0  0
  4  6 02  0  2  0  0
  4  7 01  0  1  0  0
  5  8 01  0  1  0  0
  6  9 01  0  1  0  0
  7 10 02  0  1  0  0
  9 11 02  0  1  0  0
  6  8 01  0  1  0  0
 10 11 01  0  1  0  0
M  END

Indole-3-aldehyde

₹ 0.00 0.00

Chemical Name - Indole-3-aldehyde
Mol Weight - 145.161
Smiles - O=Cc1c[nH]c2c1cccc2

Property Name	Property Value
Mol Name	Indole-3-aldehyde
Molweight	145.161
Monoisotopic Mass	145.052764
Clogp	1.6323
Clogs	-2.465
H Acceptors	2
H Donors	1
Total Surface Area	116.97
Relative Psa	0.23108
Polar Surface Area	32.86
Druglikeness	-2.6057
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.18137
Molecular Complexity	0.70568
Fragments	1
Non H Atoms	11
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Aromatic Nitrogens	1
Smiles	O=Cc1c[nH]c2c1cccc2
InChIKey	InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
InChI	OLNJUISKUQQNIM-UHFFFAOYSA-N

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Indole-3-aldehyde