Chem 1h Benzodimidazole 1 Carboxylicacid Dsrpl

Compound 174
  CheckMol                        TMF02:r0:m0
MF=C8H6N2O2 MW=162.15
 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
   -0.0119   -1.4958   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3296   -2.2437   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2821   -2.2437   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.6474   -1.6145   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.4246   -3.7277   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6446   -2.7186   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.0985   -0.1662   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.8848   -4.0245   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.1048   -2.3981   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.5587    0.1543   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.5559   -0.9497   -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
  2  4  1  0  0  0  0
  4  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 02  0  2  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
 10 12 02  0  1  0  0
  7  9 01  0  1  0  0
 11 12 01  0  1  0  0
M  END

1H-benzo[d]imidazole-1-carboxylicacid

₹ 0.00 0.00

Chemical Name - 1H-benzo[d]imidazole-1-carboxylicacid
Mol Weight - 162.148
Smiles - OC(n1c(cccc2)c2nc1)=O

Property Name	Property Value
Mol Name	1H-benzo[d]imidazole-1-carboxylicacid
Molweight	162.148
Monoisotopic Mass	162.042928
Clogp	1.279
Clogs	-2.133
H Acceptors	4
H Donors	1
Total Surface Area	119.92
Relative Psa	0.36674
Polar Surface Area	55.12
Druglikeness	1.5979
Mutagenic	low
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.22747
Molecular Complexity	0.74239
Fragments	1
Non H Atoms	12
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	1
Aromatic Nitrogens	2
Acidic Oxygens	1
Smiles	OC(n1c(cccc2)c2nc1)=O
InChIKey	InChI=1S/C8H6N2O2/c11-8(12)10-5-9-6-3-1-2-4-7(6)10/h1-5H,(H,11,12)
InChI	MJABXZWILYUAEB-UHFFFAOYSA-N

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1 - 1H-benzo[d]imidazole-1-carboxylicacid
2 - 1H-benzo[d]imidazole-1-carboxylicacid

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1H-benzo[d]imidazole-1-carboxylicacid