Mrv1572004251602112D          

 11 11  0  0  0  0            999 V2000
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1913    1.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9760    1.9462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783    2.2433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.8843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM020913

> <DATABASE_NAME>
chemdb

> <SMILES>
NC(=N)NC1N=C(O)N=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C4H7N5O2/c5-3(6)7-1-2(10)9-4(11)8-1/h1H,(H4,5,6,7)(H2,8,9,10,11)

> <INCHI_KEY>
AVOMHQCKYPXFNU-UHFFFAOYSA-N

> <FORMULA>
C4H7N5O2

> <MOLECULAR_WEIGHT>
157.133

> <EXACT_MASS>
157.059974485

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
13.719237787569643

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(2,5-dihydroxy-4H-imidazol-4-yl)guanidine

> <ALOGPS_LOGP>
-1.91

> <JCHEM_LOGP>
-2.6575554386158813

> <ALOGPS_LOGS>
-2.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
3.7456587067123364

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7049550366497659

> <JCHEM_PKA_STRONGEST_BASIC>
11.21287493461276

> <JCHEM_POLAR_SURFACE_AREA>
127.08000000000001

> <JCHEM_REFRACTIVITY>
45.660000000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.46e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-(2,5-dihydroxy-4H-imidazol-4-yl)guanidine

> <JCHEM_VEBER_RULE>
0

> <NAME>
Guanidinohydantoin

$$$$