Mrv1572004191603012D          

  9  7  0  0  0  0            999 V2000
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0054    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0054   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1804    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8304   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0054   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  9  5  1  0  0  0  0
  9  6  1  0  0  0  0
  9  7  2  0  0  0  0
  9  8  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM010593

> <DATABASE_NAME>
chemdb

> <SMILES>
NC(O)=N.OS(O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/CH4N2O.H2O4S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H2,1,2,3,4)

> <INCHI_KEY>
SSBRSHIQIANGKS-UHFFFAOYSA-N

> <FORMULA>
CH6N2O5S

> <MOLECULAR_WEIGHT>
158.13

> <EXACT_MASS>
157.999742475

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
6.509275968116302

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
carbamimidic acid; sulfuric acid

> <ALOGPS_LOGP>
-2.44

> <JCHEM_LOGP>
-0.8415520233333333

> <ALOGPS_LOGS>
-0.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.034349054191991

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
13.770800000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.06e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sulfuric acid; β-I-k

> <JCHEM_VEBER_RULE>
0

> <NAME>
Urea, sulfate (2:1)

> <CAS>
17103-31-0

> <SYNONYMS>
Urea, sulfate (1:1)

$$$$