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Compound 375
  CheckMol                        TMF02:r0:m0
MF=C27H42ClNO2 MW=448.09
 31 31  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202   -7.6588   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3756   -8.9471   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3875   -6.3469   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8864   -8.9353   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.1321  -10.2354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.1439   -5.0349   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1536  -10.2235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3875  -11.5236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4111   -3.7230   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9101  -11.5118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.1675   -2.4111   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655  -12.8001   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4229   -1.0992   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9219  -14.0884   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1228  -13.5329   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1228  -12.0437   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793    0.2127   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1891  -15.3767   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4466    1.5247   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4913    0.9692   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4913   -0.5319   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0992  -14.6203   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5437  -16.6650   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5010  -16.1095   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030    2.8366   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4584    4.1485   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.7158    2.8484   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.2148    5.4604   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.4723    4.1603   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.7276    5.4723   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5 02  0  1  0  0
  3  6 01  0  1  0  0
  4  7  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  7 10  1  0  0  0  0
  8 11 02  0  1  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27 02  0  1  0  0
 26 28 01  0  1  0  0
 27 29 01  0  1  0  0
 28 30 02  0  1  0  0
 29 31 02  0  1  0  0
  9 11 01  0  1  0  0
 30 31 01  0  1  0  0
M  CHG  1   1  -1
M  CHG  1  18   1
M  END

Hyamine

₹ 0.00 0.00

Chemical Name - Hyamine
Mol Weight - 412.635
Smiles - CC(C)(C)CC(C)(C)c(cc1)ccc1OCCOCC[N+](C)(C)Cc1ccccc1.[Cl-]

Property Name	Property Value
Mol Name	Hyamine
Molweight	412.635
Monoisotopic Mass	412.321554
Clogp	2.952
Clogs	-4.073
H Acceptors	3
Total Surface Area	348.1
Relative Psa	0.035564
Polar Surface Area	18.46
Druglikeness	-16.71
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.66667
Molecular Flexibility	0.65654
Molecular Complexity	0.655
Fragments	2
Non H Atoms	30
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	12
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	18
Symmetric Atoms	8
Amines	1
Alkyl Amines	1
Smiles	CC(C)(C)CC(C)(C)c(cc1)ccc1OCCOCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIKey	InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
InChI	UREZNYTWGJKWBI-UHFFFAOYSA-M

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Hyamine