1099
  Mrv0541 02231215142D          

  9  9  0  0  0  0            999 V2000
    2.0930    1.0808    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.5693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.5693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.6683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <DATABASE_ID>
DB01099

> <DATABASE_NAME>
drugbank

> <SMILES>
NC1=C(F)C=NC(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)

> <INCHI_KEY>
InChIKey=XRECTZIEBJDKEO-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
9.973904378734243

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_EXACT_MASS>
129.03383997

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C4H4FN3O

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-amino-5-fluoro-1,2-dihydropyrimidin-2-one

> <ALOGPS_LOGP>
-0.24

> <JCHEM_LOGP>
-0.9481628816666665

> <ALOGPS_LOGS>
-1.83

> <JCHEM_MASS>
129.0925

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.163186658693784

> <JCHEM_PKA_STRONGEST_BASIC>
1.0557196693239448

> <JCHEM_POLAR_SURFACE_AREA>
67.48

> <JCHEM_REFRACTIVITY>
38.2177

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.92e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
flucytosine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB01099

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Flucytosine

> <SYNONYMS>
5-FC; 5-Fluorocystosine; 5-Fluorocytosine

> <BRANDS>
Ancobon; Ancotil; Flusine

$$$$