Mrv0541 05041411052D          

  4  3  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
    1.2375    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Se  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
M  END
> <DATABASE_ID>
CHEM004290

> <DATABASE_NAME>
chemdb

> <SMILES>
NC([SeH])=N

> <INCHI_IDENTIFIER>
InChI=1S/CH4N2Se/c2-1(3)4/h(H4,2,3,4)

> <INCHI_KEY>
IYKVLICPFCEZOF-UHFFFAOYSA-N

> <FORMULA>
CH4N2Se

> <MOLECULAR_WEIGHT>
123.02

> <EXACT_MASS>
123.953969966

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
6.406708311971691

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
carbamimidoselenoic acid

> <ALOGPS_LOGP>
-1.43

> <JCHEM_LOGP>
-0.4347999999999999

> <ALOGPS_LOGS>
-0.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.670311598625426

> <JCHEM_POLAR_SURFACE_AREA>
49.870000000000005

> <JCHEM_REFRACTIVITY>
35.5516

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.46e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carbamimidoselenoic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
Selenourea

> <CAS>
630-10-4

$$$$