Mrv0541 02241220082D
17 12 0 0 0 0 999 V2000
-3.5055 -2.4863 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0
2.2007 3.1384 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0
3.5055 0.0404 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0
2.2007 -3.1384 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0
-0.0815 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4075 1.4267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2445 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3254 -1.5082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8145 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4671 -0.2850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4678 -0.5295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8151 -0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0815 -0.1226 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0
-0.8966 0.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3041 0.8555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8145 0.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8960 1.1007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5 6 3 0 0 0 0
5 13 1 0 0 0 0
7 8 3 0 0 0 0
7 13 1 0 0 0 0
9 10 3 0 0 0 0
9 13 1 0 0 0 0
11 12 3 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 16 1 0 0 0 0
14 15 3 0 0 0 0
16 17 3 0 0 0 0
M CHG 4 1 1 2 1 3 1 4 1
M END
> <DATABASE_ID>
FDB014739
> <DATABASE_NAME>
foodb
> <SMILES>
[K+].[K+].[K+].[K+].N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N
> <INCHI_IDENTIFIER>
InChI=1S/6CN.Fe.4K/c6*1-2;;;;;/q;;;;;;;4*+1
> <INCHI_KEY>
GDZKPHDTRQJRIE-UHFFFAOYSA-N
> <FORMULA>
C6FeK4N6
> <MOLECULAR_WEIGHT>
368.343
> <EXACT_MASS>
367.808213607
> <JCHEM_ACCEPTOR_COUNT>
6
> <JCHEM_AVERAGE_POLARIZABILITY>
16.917644903430478
> <JCHEM_BIOAVAILABILITY>
1
> <JCHEM_DONOR_COUNT>
0
> <JCHEM_FORMAL_CHARGE>
4
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
tetrapotassium ironhexacarbonitrile
> <JCHEM_LOGP>
-0.2594000000000002
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_POLAR_SURFACE_AREA>
142.73999999999998
> <JCHEM_REFRACTIVITY>
39.9336
> <JCHEM_ROTATABLE_BOND_COUNT>
0
> <JCHEM_RULE_OF_FIVE>
1
> <JCHEM_TRADITIONAL_IUPAC>
tetrapotassium prussian blue
> <JCHEM_VEBER_RULE>
0
> <FOODB_ID>
FDB014739
> <GENERIC_NAME>
Potassium ferrocyanide
$$$$