Mrv0541 02241220492D          
 
 13 12  0  0  0  0            999 V2000
   22.2325  -13.5758    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
   23.2249  -13.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7960  -12.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9967  -13.5830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.4151  -12.1430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7893  -14.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3960  -15.0008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3526  -13.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5813  -13.5644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6723  -14.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0522  -15.0075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6743  -12.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0562  -12.1435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  3  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  3  0  0  0  0
  8  9  3  0  0  0  0
  3  5  3  0  0  0  0
  1 10  1  0  0  0  0
 10 11  3  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  1  2  1  0  0  0  0
 12 13  3  0  0  0  0
M  CHG  1   1  -4
M  END
> <DATABASE_ID>
CHEM005752

> <DATABASE_NAME>
chemdb

> <SMILES>
N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N

> <INCHI_IDENTIFIER>
InChI=1S/6CN.Fe/c6*1-2;/q;;;;;;-4

> <INCHI_KEY>
ORXDSIPBTFAEKJ-UHFFFAOYSA-N

> <FORMULA>
C6FeN6

> <MOLECULAR_WEIGHT>
211.949

> <EXACT_MASS>
211.953386163

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
16.917644903430485

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-4

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexacyanoirontetrauide

> <JCHEM_LOGP>
-0.2594000000000002

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_POLAR_SURFACE_AREA>
142.73999999999998

> <JCHEM_REFRACTIVITY>
39.9336

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
ferrocyanide

> <JCHEM_VEBER_RULE>
0

> <NAME>
FERROCYANIDE SALTS

> <CAS>
977171-91-7

$$$$