Mrv1533007211515462D          
 
  6  5  0  0  0  0            999 V2000
   18.3346  -15.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1435  -15.5475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6200  -15.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3346  -14.3147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3729  -14.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6125  -15.6812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  STY  1   1 SRU
M  SCN  1   1 HT 
M  SAL   1  1   5
M  SDI   1  4   20.1214  -16.2048   20.1214  -14.6382
M  SDI   1  4   20.6109  -14.6382   20.6109  -16.2048
M  SBL   1  2   4   5
M  SMT   1 n
M  END
> <DATABASE_ID>
M2MDB006042

> <DATABASE_NAME>
M2MDB

> <SMILES>
CC(=O)NCN

> <INCHI_IDENTIFIER>
InChI=1S/C3H8N2O/c1-3(6)5-2-4/h2,4H2,1H3,(H,5,6)

> <INCHI_KEY>
BLMIGVQIUUGRMY-UHFFFAOYSA-N

> <FORMULA>
(CH2)nC2H6N2O

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
-1.82

> <ALOGPS_LOGS>
0.84

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.15e+02 g/l

> <MET_ID>
ECMDB23933

> <GENERIC_NAME>
N-Acetyldiamine

$$$$