Mrv0541 02241203482D          

  8  7  0  0  0  0            999 V2000
   10.0559   -6.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3415   -7.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7704   -7.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270   -6.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4848   -6.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9126   -7.2113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1993   -7.2113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4848   -5.9738    0.0000 O   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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0012176

> <DATABASE_NAME>
bmdb

> <SMILES>
NCCCCC(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H12N2O/c6-4-2-1-3-5(7)8/h1-4,6H2,(H2,7,8)

> <INCHI_KEY>
OTIAVLWNTIXJDO-UHFFFAOYSA-N

> <FORMULA>
C5H12N2O

> <MOLECULAR_WEIGHT>
116.1616

> <EXACT_MASS>
116.094963016

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
13.025910755151

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-aminopentanamide

> <ALOGPS_LOGP>
-2.00

> <JCHEM_LOGP>
-0.9841755643333333

> <ALOGPS_LOGS>
0.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.94112919095558

> <JCHEM_PKA_STRONGEST_BASIC>
9.905080622222428

> <JCHEM_POLAR_SURFACE_AREA>
69.11

> <JCHEM_REFRACTIVITY>
31.881

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.39e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
aminopentamide

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0012176

> <GENERIC_NAME>
5-Aminopentanamide

$$$$