Mrv0541 09211104272D          

 23 22  0  0  0  0            999 V2000
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.6039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    0.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0460    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    1.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0877    0.7005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8623    0.7005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8022    2.5698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5768    2.5698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2311    2.5698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0057    2.5698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9456    0.7005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7202    0.7005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4599    1.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.2539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D0112

> <SMILES>
CCCN(CCC)N=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3

> <INCHI_KEY>
InChIKey=YLKFDHTUAUWZPQ-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
15.021025404997165

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
130.11061308

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C6H14N2O

> <JCHEM_IUPAC>
nitrosodipropylamine

> <JCHEM_LOGP>
1.7972745216666663

> <JCHEM_MASS>
130.1882

> <JCHEM_POLAR_SURFACE_AREA>
32.67

> <JCHEM_REFRACTIVITY>
38.5957

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_TRADITIONAL_IUPAC>
N-nitrosodipropylamine

$$$$