Chem N Cyclohexyl 5 Ethyl Barbituric Acid AlkaliMetal

Compound 284
  CheckMol                        TMF02:r0:m0
MF=C12H18N2O3 MW=238.29
 17 18  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098    0.7552   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6195    0.0236   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3216    2.2655   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9293    0.7788   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6313   -1.4632   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6313    3.0207   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2391    0.0472   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9411    2.2891   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9411   -2.1948   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3452   -2.1948   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6431    4.5311   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2509    3.0443   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9529   -3.6815   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3570   -3.6815   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5607    2.3127   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6667   -4.4131   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  1  0  0
  3  6  1  0  0  0  0
  4  7  1  0  1  0  0
  5  8  2  0  0  0  0
  5  9  1  0  1  0  0
  6 10  1  0  1  0  0
  6 11  1  0  1  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  1  0  0
 11 15  1  0  1  0  0
 13 16  1  0  0  0  0
 14 17  1  0  1  0  0
  7  9  1  0  1  0  0
 15 17  1  0  1  0  0
M  END

N-Cyclohexyl-5-Ethyl Barbituric Acid

₹ 0.00 0.00

Chemical Name - N-Cyclohexyl-5-Ethyl Barbituric Acid
Mol Weight - 238.286
Smiles - CCC(C(NC(N1C2CCCCC2)=O)=O)C1=O

Property Name	Property Value
Mol Name	N-Cyclohexyl-5-Ethyl Barbituric Acid
Molweight	238.286
Monoisotopic Mass	238.131743
Clogp	1.1924
Clogs	-2.652
H Acceptors	5
H Donors	1
Total Surface Area	181.33
Relative Psa	0.29852
Polar Surface Area	66.48
Druglikeness	0.12212
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.52941
Molecular Flexibility	0.38524
Molecular Complexity	0.73536
Fragments	1
Non H Atoms	17
Non Ch Atoms	5
Electronegative Atoms	5
Stereo Centers	1
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Sp3 Atoms	9
Symmetric Atoms	2
Amides	2
Smiles	CCC(C(NC(N1C2CCCCC2)=O)=O)C1=O
InChIKey	InChI=1S/C12H18N2O3/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,13,15,17)
InChI	WCCUCVYMWMWXAG-UHFFFAOYSA-N

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N-Cyclohexyl-5-Ethyl Barbituric Acid