Chem 46 Dichloro 5 Pyrimidinecarboxylicacid Dsrpl

Compound 135
  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
    1.2848    0.7544   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5697    0.0118   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2731    2.2632   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8545    0.7662   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5579    3.0294   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354    3.0176   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8427    2.2750   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5461    4.5382   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0472    4.5264   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3438    2.2750   -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
  4  7  1  0  0  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  6  8 01  0  1  0  0
M  END

4,6-Dichloro-5-pyrimidinecarboxylicacid

₹ 0.00 0.00

Chemical Name - 4,6-Dichloro-5-pyrimidinecarboxylicacid
Mol Weight - 192.989
Smiles - OC(c(c(Cl)ncn1)c1Cl)=O

Property Name	Property Value
Mol Name	4,6-Dichloro-5-pyrimidinecarboxylicacid
Molweight	192.989
Monoisotopic Mass	191.949332
Clogp	0.9883
Clogs	-1.623
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	0.54545
Molecular Flexibility	0.35822
Molecular Complexity	0.7824
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
Symmetric Atoms	3
Aromatic Nitrogens	2
Acidic Oxygens	1
Smiles	OC(c(c(Cl)ncn1)c1Cl)=O
InChIKey	InChI=1S/C5H2Cl2N2O2/c6-3-2(5(10)11)4(7)9-1-8-3/h1H,(H,10,11)
InChI	KGBLYFGHJNGQBK-UHFFFAOYSA-N

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4,6-Dichloro-5-pyrimidinecarboxylicacid