
 (-)-metazocine

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.3233    0.6743   -1.0306 C   0  0  0  0  0
    1.9923    0.7442    0.3484 C   0  0  0  0  0
    3.4741    1.1853    0.2909 C   0  0  0  0  0
    3.5327    2.5747   -0.3763 C   0  0  0  0  0
    2.7236    3.5760    0.4242 C   0  0  0  0  0
    1.6674    3.1534    1.2631 C   0  0  0  0  0
    1.2882    1.6523    1.4013 C   0  0  0  0  0
    1.8303    1.1460    2.7722 C   0  0  0  0  0
    3.3151    0.7077    2.7292 C   0  0  0  0  0
    4.0734    1.3091    1.6418 N   0  0  0  0  0
    5.4933    1.0097    1.6852 C   0  0  0  0  0
   -0.2419    1.4800    1.3446 C   0  0  0  0  0
    1.0800    4.1124    2.1115 C   0  0  0  0  0
    1.5423    5.4278    2.1286 C   0  0  0  0  0
    2.5426    5.8461    1.2685 C   0  0  0  0  0
    3.1216    4.9241    0.3994 C   0  0  0  0  0
    1.0121    6.2739    3.0605 O   0  0  0  0  0
    1.9674    0.1497   -1.7435 H   0  0  0  0  0
    1.0837    1.6614   -1.4377 H   0  0  0  0  0
    0.3860    0.1055   -0.9738 H   0  0  0  0  0
    1.9632   -0.2945    0.7112 H   0  0  0  0  0
    4.0299    0.4588   -0.3143 H   0  0  0  0  0
    3.1534    2.5474   -1.4042 H   0  0  0  0  0
    4.5757    2.9059   -0.4424 H   0  0  0  0  0
    1.6923    1.8981    3.5604 H   0  0  0  0  0
    1.2472    0.2720    3.0915 H   0  0  0  0  0
    3.7631    0.9803    3.6923 H   0  0  0  0  0
    3.3662   -0.3869    2.6638 H   0  0  0  0  0
    5.9173    1.3013    2.6533 H   0  0  0  0  0
    6.0408    1.5841    0.9268 H   0  0  0  0  0
    5.6883   -0.0568    1.5255 H   0  0  0  0  0
   -0.7422    1.9442    2.2009 H   0  0  0  0  0
   -0.5184    0.4215    1.3501 H   0  0  0  0  0
   -0.6623    1.9339    0.4402 H   0  0  0  0  0
    0.3110    3.8310    2.8249 H   0  0  0  0  0
    2.9057    6.8701    1.2759 H   0  0  0  0  0
    3.9354    5.2391   -0.2459 H   0  0  0  0  0
    1.6002    7.0462    3.1305 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 21  1  0  0  0
  3 10  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5 16  1  0  0  0
  5  6  2  0  0  0
  6 13  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  2  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 36  1  0  0  0
 16 37  1  0  0  0
 17 38  1  0  0  0
M  END

>  <Chemical Name>
(-)-metazocine

>  <PubChem CID>
443404

>  <Formula>
C15H21NO

>  <Molecular Weight>
231.339000

>  <IUPAC Name>


>  <XlogP>
1.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1C2CC3=C(C1(CCN2C)C)C=C(C=C3)O

>  <Isomeric SMILES>
C[C@H]1[C@H]2CC3=C([C@@]1(CCN2C)C)C=C(C=C3)O

>  <InChI Std. ID>
InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3/t10-,14+,15+/m0/s1

>  <InChI Key>
YGSVZRIZCHZUHB-COLVAYQJSA-N

