Mrv1572004241622352D          

  4  3  0  0  0  0            999 V2000
    0.0000   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7120   -0.6177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7120   -0.6177    0.0000 N   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  ISO  1   1  14
M  END
> <DATABASE_ID>
DB09513

> <DATABASE_NAME>
drugbank

> <SMILES>
N[14C](N)=O

> <INCHI_IDENTIFIER>
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+2

> <INCHI_KEY>
XSQUKJJJFZCRTK-NJFSPNSNSA-N

> <FORMULA>
CH4N2O

> <MOLECULAR_WEIGHT>
62.048

> <EXACT_MASS>
62.035604745

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
5.103029304550037

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(¹⁴C)urea

> <ALOGPS_LOGP>
-1.78

> <JCHEM_LOGP>
-1.3638338616666665

> <ALOGPS_LOGS>
0.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.73196510680673

> <JCHEM_PKA_STRONGEST_BASIC>
-2.3686972237578967

> <JCHEM_POLAR_SURFACE_AREA>
69.11

> <JCHEM_REFRACTIVITY>
13.1426

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.12e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(¹⁴C)urea

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09513

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Urea C-14

> <SYNONYMS>
14C-urea; Carbon 14 urea; Carbon-14 urea; Urea (14C); Urea 14 C; Urea C 14; Urea-14C; Urea, C-14

> <PRODUCTS>
PYtest

$$$$