Mrv0541 05061310022D          

  5  4  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB016983

> <DATABASE_NAME>
foodb

> <SMILES>
F[I]=C[I]=N

> <INCHI_IDENTIFIER>
InChI=1S/CH2FI2N/c2-3-1-4-5/h1,5H

> <INCHI_KEY>
POTUGHMKJGOKRI-UHFFFAOYSA-N

> <FORMULA>
CH2FI2N

> <MOLECULAR_WEIGHT>
300.8406

> <EXACT_MASS>
300.826064114

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
15.514533346757968

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
fluoro[(imino-λ³-iodanyl)methylidene]-λ³-iodane

> <ALOGPS_LOGP>
-1.72

> <ALOGPS_LOGS>
-1.49

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
23.85

> <JCHEM_REFRACTIVITY>
36.45269999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.77e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fluoro[(imino-λ³-iodanyl)methylidene]-λ³-iodane

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB016983

> <GENERIC_NAME>
Ficin

$$$$