
 125-73-5

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    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
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    1.2448    2.8675   -3.1423 H   0  0  0  0  0
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M  END

>  <Chemical Name>
125-73-5

>  <PubChem CID>
5416975

>  <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-/m1/s1

>  <InChI Key>
JAQUASYNZVUNQP-DJIMGWMZSA-N

