Chem 24 Dichloropyrimidine 5 Carboxylicacid Dsrpl

Compound 134
  CheckMol                        TMF02:r0:m0
MF=C5H2Cl2N2O2 MW=192.99
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3016    0.7622   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6033    0.0352   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3134    2.2632   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9049    0.7857   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6150    3.0254   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2065    0.0586   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9166    2.2867   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2183    3.0371   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2300    4.5381   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5199    2.2984   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7  1  0  0  0  0
  5  8 02  0  1  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6  8 01  0  1  0  0
M  END

2,4-Dichloropyrimidine-5-carboxylicAcid

₹ 0.00 0.00

Chemical Name - 2,4-Dichloropyrimidine-5-carboxylicAcid
Mol Weight - 192.989
Smiles - OC(c(cnc(Cl)n1)c1Cl)=O

Property Name	Property Value
Mol Name	2,4-Dichloropyrimidine-5-carboxylicAcid
Molweight	192.989
Monoisotopic Mass	191.949332
Clogp	1.133
Clogs	-1.629
H Acceptors	4
H Donors	1
Total Surface Area	125.72
Relative Psa	0.38244
Polar Surface Area	63.08
Druglikeness	-1.4266
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.35822
Molecular Complexity	0.72752
Fragments	1
Non H Atoms	11
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Aromatic Nitrogens	2
Acidic Oxygens	1
Smiles	OC(c(cnc(Cl)n1)c1Cl)=O
InChIKey	InChI=1S/C5H2Cl2N2O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)
InChI	IVIHUCXXDVVSBH-UHFFFAOYSA-N

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2,4-Dichloropyrimidine-5-carboxylicAcid