Chem 1h Benzimidazole 5 Carbaldehyde Dsrpl

Compound 113
  CheckMol                        TMF02:r0:m0
MF=C8H6N2O MW=146.15
 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
    1.2969    0.7615   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5937    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8906    0.7734   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5818   -1.4872   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1874    0.0357   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8787   -2.2249   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.6152    0.5116   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.1755   -1.4634   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.4956   -0.7020   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.6033   -1.9155   -0.0000 N   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  1  0  0
  6  9 02  0  2  0  0
  8 10 02  0  1  0  0
  9 11 01  0  1  0  0
  7  9 01  0  1  0  0
 10 11 01  0  1  0  0
M  END

1H-Benzimidazole-5-carbaldehyde

₹ 0.00 0.00

Chemical Name - 1H-Benzimidazole-5-carbaldehyde
Mol Weight - 146.149
Smiles - O=Cc(cc1)cc2c1[nH]cn2

Property Name	Property Value
Mol Name	1H-Benzimidazole-5-carbaldehyde
Molweight	146.149
Monoisotopic Mass	146.048013
Clogp	1.1925
Clogs	-2.151
H Acceptors	3
H Donors	1
Total Surface Area	115.73
Relative Psa	0.32835
Polar Surface Area	45.75
Druglikeness	-2.1808
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.63636
Molecular Flexibility	0.23009
Molecular Complexity	0.69315
Fragments	1
Non H Atoms	11
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Aromatic Nitrogens	2
Basic Nitrogens	1
Smiles	O=Cc(cc1)cc2c1[nH]cn2
InChIKey	InChI=1S/C8H6N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-5H,(H,9,10)
InChI	ALCHVVTYAHQOFY-UHFFFAOYSA-N

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1 - 1H-Benzimidazole-5-carbaldehyde
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1H-Benzimidazole-5-carbaldehyde