Chem Benzoimidazole 1 Carbaldehyde Dsrpl

Compound 111
  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
    1.2980    0.7670   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960    0.0236   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.9649    0.6490   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.7377   -1.4632   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.9561   -0.4602   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.4133    2.0886   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.2009   -1.7700   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    6.4193   -0.1298   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.8765    2.4190   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.8677    1.3098   -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 01  0  1  0  0
  4  6 02  0  2  0  0
  4  7 01  0  1  0  0
  5  8 02  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

Benzoimidazole-1-carbaldehyde

₹ 0.00 0.00

Chemical Name - Benzoimidazole-1-carbaldehyde
Mol Weight - 146.149
Smiles - O=Cn1c(cccc2)c2nc1

Property Name	Property Value
Mol Name	Benzoimidazole-1-carbaldehyde
Molweight	146.149
Monoisotopic Mass	146.048013
Clogp	1.5499
Clogs	-1.76
H Acceptors	3
Total Surface Area	115.36
Relative Psa	0.26768
Polar Surface Area	34.89
Druglikeness	1.4572
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.21594
Molecular Complexity	0.70568
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
Smiles	O=Cn1c(cccc2)c2nc1
InChIKey	InChI=1S/C8H6N2O/c11-6-10-5-9-7-3-1-2-4-8(7)10/h1-6H
InChI	OVLBRKILZDEOMU-UHFFFAOYSA-N

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Benzoimidazole-1-carbaldehyde