Mrv1718007111813112D          

 16 12  0  0  0  0            999 V2000
    0.4125    0.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.2858    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7714    0.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3589   -0.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3589    1.1432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714   -1.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5339   -0.2858    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.4753    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    2.8286   -2.6503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286   -4.3003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036   -3.4753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -3.4753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286   -3.4753    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 16 12  1  0  0  0  0
 16 13  1  0  0  0  0
 16 14  2  0  0  0  0
 16 15  2  0  0  0  0
M  CHG  3   5  -1  10  -1  11   2
M  END
> <DATABASE_ID>
DB14501

> <DATABASE_NAME>
drugbank

> <SMILES>
[Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2C2H5NO2.Fe.H2O4S/c2*3-1-2(4)5;;1-5(2,3)4/h2*1,3H2,(H,4,5);;(H2,1,2,3,4)/q;;+2;/p-2

> <INCHI_KEY>
YJYOLOWXCPIBSY-UHFFFAOYSA-L

> <FORMULA>
C4H10FeN2O8S

> <MOLECULAR_WEIGHT>
302.041

> <EXACT_MASS>
301.950728129

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
6.2458071632050665

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
lambda2-iron(2+) sulfuric acid bis(2-aminoacetate)

> <ALOGPS_LOGP>
-1.47

> <JCHEM_LOGP>
-3.409459573132419

> <ALOGPS_LOGS>
0.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.3074568824727404

> <JCHEM_PKA_STRONGEST_BASIC>
9.240341660583645

> <JCHEM_POLAR_SURFACE_AREA>
66.15

> <JCHEM_REFRACTIVITY>
26.8405

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.11e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lambda2-iron(2+) sulfuric acid diaminoacetate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14501

> <SECONDARY_ACCESSION_NUMBERS>
DBSALT000081

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Ferrous glycine sulfate

> <SYNONYMS>
Ferrous (II) Glycine Sulphate Complex; Ferrous glycine sulphate; Iron(II) glycine sulfate

$$$$