Chem 2 Butyl 4 Chloro 5 Formyl Imidazole

Compound 4
  CheckMol                        TMF02:r0:m0
MF=C8H11ClN2O MW=186.64
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5983    1.3843   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.0530    1.7128   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.1642    2.6982   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.1938    3.2144   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.8212    3.8244   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.6658    2.8624   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4842    3.9769   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5574    1.6658   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7746    3.2378   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0651    4.0004   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3555    3.2613   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 01  0  1  0  0
  2  4 02  0  1  0  0
  3  5 02  0  1  0  0
  4  6 01  0  1  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5  6 01  0  1  0  0
M  END

2 – butyl-4-chloro-5-formyl imidazole

₹ 0.00 0.00

Chemical Name - 2 – butyl-4-chloro-5-formyl imidazole
Mol Weight - 186.641
Smiles - CCCCc1nc(Cl)c(C=O)[nH]1

Property Name	Property Value
Mol Name	2 – butyl-4-chloro-5-formyl imidazole
Molweight	186.641
Monoisotopic Mass	186.05599
Clogp	2.0683
Clogs	-1.605
H Acceptors	3
H Donors	1
Total Surface Area	150.09
Relative Psa	0.25318
Polar Surface Area	45.75
Druglikeness	-6.4901
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	3
Shape Index	0.75
Molecular Flexibility	0.5358
Molecular Complexity	0.65854
Fragments	1
Non H Atoms	12
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3 Atoms	4
Aromatic Nitrogens	2
Smiles	CCCCc1nc(Cl)c(C=O)[nH]1
InChIKey	InChI=1S/C8H11ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h5H,2-4H2,1H3,(H,10,11)
InChI	JLVIHQCWASNXCK-UHFFFAOYSA-N

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1 - 2 – butyl-4-chloro-5-formyl imidazole
2 - 2 – butyl-4-chloro-5-formyl imidazole

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2 – butyl-4-chloro-5-formyl imidazole