
 MLS000830852

 37 38  0  0  0  0  0  0  0  0999 V2000
   -0.6037    1.1860    4.6199 C   0  0  0  0  0
    0.5440    2.1769    4.7626 C   0  0  0  0  0
    1.1411    2.5606    3.4311 C   0  0  0  0  0
    0.9839    3.8605    2.9336 C   0  0  0  0  0
    1.5064    4.2132    1.6853 C   0  0  0  0  0
    2.2052    3.2709    0.9187 C   0  0  0  0  0
    2.3670    1.9730    1.4155 C   0  0  0  0  0
    1.8444    1.6227    2.6634 C   0  0  0  0  0
    2.7437    3.5888   -0.4357 C   0  0  0  0  0
    3.0494    2.6950   -1.2261 O   0  0  0  0  0
    2.8972    4.9340   -0.7322 N   0  0  0  0  0
    3.5669    5.2520   -1.9209 N   0  0  0  0  0
    2.9448    6.2514   -2.7134 C   0  0  0  0  0
    1.9814    7.1410   -2.2218 C   0  0  0  0  0
    1.4925    8.1886   -3.0132 C   0  0  0  0  0
    1.9758    8.3949   -4.3122 C   0  0  0  0  0
    2.9488    7.5158   -4.8034 C   0  0  0  0  0
    3.4290    6.4658   -4.0116 C   0  0  0  0  0
    1.4983    9.5327   -5.1689 C   0  0  0  0  0
    0.2918    9.2248   -2.3233 Cl  0  0  0  0  0
   -1.0496    0.9800    5.5981 H   0  0  0  0  0
   -0.2612    0.2338    4.2013 H   0  0  0  0  0
   -1.3876    1.5791    3.9636 H   0  0  0  0  0
    1.3291    1.7528    5.4001 H   0  0  0  0  0
    0.1766    3.0712    5.2812 H   0  0  0  0  0
    0.4372    4.6051    3.5076 H   0  0  0  0  0
    1.3250    5.2205    1.3221 H   0  0  0  0  0
    2.8954    1.2241    0.8287 H   0  0  0  0  0
    1.9793    0.6057    3.0283 H   0  0  0  0  0
    3.0338    5.6017    0.0207 H   0  0  0  0  0
    3.7702    4.4061   -2.4714 H   0  0  0  0  0
    1.5924    7.0290   -1.2156 H   0  0  0  0  0
    3.3575    7.6486   -5.8033 H   0  0  0  0  0
    4.2070    5.8204   -4.4139 H   0  0  0  0  0
    1.9990    9.5393   -6.1430 H   0  0  0  0  0
    1.7157   10.4906   -4.6848 H   0  0  0  0  0
    0.4224    9.4504   -5.3523 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8 29  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 33  1  0  0  0
 18 34  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
M  END

>  <Chemical Name>
MLS000830852

>  <PubChem CID>
2811327

>  <Formula>
C16H17ClN2O

>  <Molecular Weight>
288.775000

>  <IUPAC Name>
N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC1=CC=C(C=C1)C(=O)NNC2=CC(=C(C=C2)C)Cl

>  <Isomeric SMILES>
CCC1=CC=C(C=C1)C(=O)NNC2=CC(=C(C=C2)C)Cl

>  <InChI Std. ID>
InChI=1S/C16H17ClN2O/c1-3-12-5-7-13(8-6-12)16(20)19-18-14-9-4-11(2)15(17)10-14/h4-10,18H,3H2,1-2H3,(H,19,20)

>  <InChI Key>
CJFIQZXAVGQPLU-UHFFFAOYSA-N

