Mrv1572004191601232D          

 11  5  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.4768    0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.6518    0.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    6.5411    0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    5.7161    0.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.6500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.6500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.4768   -1.6500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.6518   -1.6500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    5.3625   -1.6500    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  4  3  3  0  0  0  0
  6  5  3  0  0  0  0
  8  7  3  0  0  0  0
 10  9  3  0  0  0  0
M  CHG  8   1  -1   2   1   3  -1   4   1   5  -1   6   1   7  -1   8   1
M  CHG  2   9  -1  10   1
M  END
> <DATABASE_ID>
CHEM004494

> <DATABASE_NAME>
chemdb

> <SMILES>
[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

> <INCHI_IDENTIFIER>
InChI=1S/5CO.Fe/c5*1-2;

> <INCHI_KEY>
FYOFOKCECDGJBF-UHFFFAOYSA-N

> <FORMULA>
C5FeO5

> <MOLECULAR_WEIGHT>
195.895

> <EXACT_MASS>
195.909509

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
1.944703610827415

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pentakis(methanidylidyneoxidanium) iron

> <ALOGPS_LOGP>
-0.06

> <JCHEM_LOGP>
-3.9616655892092787

> <ALOGPS_LOGS>
-1.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.189175771179244

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
26.2298

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.37e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pentakis(carbon monoxide) iron

> <JCHEM_VEBER_RULE>
1

> <NAME>
Iron carbonyl (Fe(CO)5), (TB-5-11)-

> <CAS>
13463-40-6

> <SYNONYMS>
Iron pentacarbonyl; Iron, Pentacarbonyl; Iron, pentacarbonyl-

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