Chem Pyridinium Dichromate Dynax

Compound 39
  CheckMol                        TMF02:r0:m0
MF=C10H12Cr2N2O7 MW=376.21
 21 20  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7563   -1.2881   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7445    1.3118   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118    0.7563   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2881   -0.7327   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6236    0.0236   -0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3799    1.3354   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8909   -1.2645   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9353   -0.7091   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4981   -0.6618   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    4.2308   -1.9499   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.2308    0.6500   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.7198   -1.9381   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.7198    0.6618   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4525   -0.6263   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.2398   -0.6618   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -7.0080    0.6500   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.9962   -1.9499   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.5207    0.6618   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.5089   -1.9381   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.2770   -0.6263   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
 10 11 02  0  1  0  0
 10 12 01  0  1  0  0
 11 13 01  0  1  0  0
 12 14 02  0  1  0  0
 13 15 02  0  1  0  0
 16 17 02  0  1  0  0
 16 18 01  0  1  0  0
 17 19 01  0  1  0  0
 18 20 02  0  1  0  0
 19 21 02  0  1  0  0
 14 15 01  0  1  0  0
 20 21 01  0  1  0  0
M  CHG  1   5  -1
M  CHG  1   9  -1
M  CHG  1  10   1
M  CHG  1  16   1
M  END

Pyridinium Dichromate

₹ 0.00 0.00

Chemical Name - Pyridinium Dichromate
Mol Weight - 215.985
Smiles - [O-][Cr](O[Cr]([O-])(=O)=O)(=O)=O.c1cc[nH+]cc1.c1cc[nH+]cc1

Property Name	Property Value
Mol Name	Pyridinium Dichromate
Molweight	215.985
Monoisotopic Mass	215.845423
Clogp	1.3268
Clogs	0.578
H Acceptors	7
Total Surface Area	90.72
Relative Psa	1
Polar Surface Area	123.63
Druglikeness	-12.788
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Shape Index	0.55556
Molecular Flexibility	0.8346
Molecular Complexity	0.64124
Fragments	3
Non H Atoms	9
Non Ch Atoms	9
Metal Atoms	2
Electronegative Atoms	7
Rotatable Bonds	2
Sp3 Atoms	3
Symmetric Atoms	5
Smiles	[O-][Cr](O[Cr]([O-])(=O)=O)(=O)=O.c1cc[nH+]cc1.c1cc[nH+]cc1
InChIKey	InChI=1S/2C5H5N.2Cr.7O/c21-2-4-6-5-3-1;;;;;;;;;/h21-5H;;;;;;;;;/q;;;;;;;;;2*-1/p+2
InChI	LMYWWPCAXXPJFF-UHFFFAOYSA-P

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Pyridinium Dichromate