Compound 32
  CheckMol                        TMF02:r0:m0
MF=C30H57NO2 MW=463.79
 33 33  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4629    0.2713   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185   -0.8612   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9584    1.6870   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    2.8432   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    4.2589   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4955    5.4151   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910    6.8308   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0118    7.9869   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5073    9.4026   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4719   10.5588   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0236   11.9745   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4865   12.2459   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9820   13.6616   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4449   13.9329   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9404   15.3486   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4033   15.6200   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8988   17.0357   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3617   17.3070   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8572   18.7227   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1146    9.2493   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8696    7.9633   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8696   10.5588   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3797    7.9751   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1381    6.6774   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1264   11.8683   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3797   10.5706   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1347    6.6892   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8932    5.3915   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8814   13.1779   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1347   11.8801   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4033    5.4033   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3915   13.1897   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  1  0  0
 22 25  1  0  1  0  0
 23 26  1  0  1  0  0
 23 27  1  0  1  0  0
 24 28  1  0  1  0  0
 25 29  1  0  1  0  0
 26 30  1  0  1  0  0
 27 31  1  0  1  0  0
 28 32  1  0  1  0  0
 30 33  1  0  1  0  0
 29 32  1  0  1  0  0
 31 33  1  0  1  0  0
M  END

2D Structure

Dicyclohexylamine Oleate

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Chemical Name - Dicyclohexylamine Oleate
Mol Weight - 282.466
Smiles - CCCCCCCC/C=CCCCCCCCC(O)=O.C(CC1)CCC1NC1CCCCC1

Property Name	Property Value
Mol Name	Dicyclohexylamine Oleate
Molweight	282.466
Monoisotopic Mass	282.25588
Clogp	6.7191
Clogs	-4.551
H Acceptors	2
H Donors	1
Total Surface Area	269
Relative Psa	0.097175
Polar Surface Area	37.3
Druglikeness	-28.971
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Shape Index	0.95
Molecular Flexibility	0.62
Molecular Complexity	0.37701
Fragments	2
Non H Atoms	20
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	15
Sp3 Atoms	16
Acidic Oxygens	1
Smiles	CCCCCCCC/C=CCCCCCCCC(O)=O.C(CC1)CCC1NC1CCCCC1
InChIKey	InChI=1S/C18H34O2.C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h9-10H,2-8,11-17H2,1H3,(H,19,20);11-13H,1-10H2
InChI	AYTIAPQIRMHXML-UHFFFAOYSA-N

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1 — Dicyclohexylamine Oleate | 2 — Dicyclohexylamine Oleate