
 ZINC2433

 42 45  0  0  0  0  0  0  0  0999 V2000
    1.8644   -0.9453   -0.2076 C   0  0  0  0  0
    3.1799   -0.3198   -0.0579 N   0  0  0  0  0
    3.0943    0.7694    0.9248 C   0  0  0  0  0
    4.3952    1.5661    1.0659 C   0  0  0  0  0
    4.9487    2.0102   -0.3107 C   0  0  0  0  0
    6.3205    2.7211   -0.1575 C   0  0  0  0  0
    7.4599    1.8009    0.2918 C   0  0  0  0  0
    7.5762    0.5478   -0.5671 C   0  0  0  0  0
    6.2473   -0.1939   -0.6725 C   0  0  0  0  0
    5.1497    0.7479   -1.1921 C   0  0  0  0  0
    3.7833    0.0556   -1.3612 C   0  0  0  0  0
    2.9549    0.9711   -2.2927 C   0  0  0  0  0
    2.9429    2.4215   -1.8707 C   0  0  0  0  0
    3.8863    2.9391   -0.9503 C   0  0  0  0  0
    3.7438    4.2750   -0.5332 C   0  0  0  0  0
    2.7242    5.0734   -1.0534 C   0  0  0  0  0
    1.8447    4.5803   -2.0042 C   0  0  0  0  0
    1.9536    3.2578   -2.4150 C   0  0  0  0  0
    2.5426    6.3569   -0.6304 O   0  0  0  0  0
    1.5365   -1.3742    0.7450 H   0  0  0  0  0
    1.8980   -1.7654   -0.9306 H   0  0  0  0  0
    1.0956   -0.2333   -0.5275 H   0  0  0  0  0
    2.8564    0.3436    1.9081 H   0  0  0  0  0
    2.2695    1.4536    0.6881 H   0  0  0  0  0
    5.1232    0.9492    1.6048 H   0  0  0  0  0
    4.2126    2.4355    1.7108 H   0  0  0  0  0
    6.2566    3.5469    0.5604 H   0  0  0  0  0
    6.6016    3.1713   -1.1196 H   0  0  0  0  0
    7.3147    1.5135    1.3393 H   0  0  0  0  0
    8.4059    2.3543    0.2539 H   0  0  0  0  0
    7.9164    0.8282   -1.5720 H   0  0  0  0  0
    8.3406   -0.1178   -0.1499 H   0  0  0  0  0
    5.9862   -0.6268    0.2990 H   0  0  0  0  0
    6.3658   -1.0377   -1.3633 H   0  0  0  0  0
    5.4887    1.0729   -2.1893 H   0  0  0  0  0
    3.9465   -0.8836   -1.9073 H   0  0  0  0  0
    3.3961    0.9311   -3.2989 H   0  0  0  0  0
    1.9318    0.5951   -2.3981 H   0  0  0  0  0
    4.4063    4.6853    0.2212 H   0  0  0  0  0
    1.0606    5.2165   -2.4053 H   0  0  0  0  0
    1.2448    2.8675   -3.1423 H   0  0  0  0  0
    3.1574    6.5306    0.1002 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5 14  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 40  1  0  0  0
 18 41  1  0  0  0
 19 42  1  0  0  0
M  END

>  <Chemical Name>
ZINC2433

>  <PubChem CID>
5390113

>  <Formula>
C17H23NO

>  <Molecular Weight>
257.377000

>  <IUPAC Name>


>  <XlogP>
3.100

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O

>  <Isomeric SMILES>
CN1CC[C@@]23CCCC[C@H]2[C@@H]1CC4=C3C=C(C=C4)O

>  <InChI Std. ID>
InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16-,17-/m0/s1

>  <InChI Key>
JAQUASYNZVUNQP-XIRDDKMYSA-N

