Chem 47131621 Pentaoxa 110 Diazabicyclo885tricosane Dsrpl

Compound 391
  CheckMol                        TMF02:r0:m0
MF=C16H32N2O5 MW=332.44
 23 24  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4844    0.8649   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4844   -0.7957   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0346    1.6606   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4531   -0.8649   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3114    2.5948   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7990   -1.7298   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2801    2.8715   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6739   -4.8436   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7677   -1.9028   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5223    3.8402   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9161   -3.8748   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4943   -1.2455   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4218    4.2208   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8848   -3.5981   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3938   -1.5569   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7431   -0.1384   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1895   -0.1038   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2307   -2.6640   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2241   -1.0033   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7118   -0.2076   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7118   -1.8682   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1961   -1.0033   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  2  0  0
  1  3  1  0  2  0  0
  2  4  1  0  2  0  0
  3  5  1  0  2  0  0
  4  6  1  0  2  0  0
  5  7  1  0  2  0  0
  6  8  1  0  2  0  0
  7  9  1  0  2  0  0
  7 10  1  0  2  0  0
  8 11  1  0  2  0  0
  9 12  1  0  2  0  0
 10 13  1  0  2  0  0
 11 14  1  0  2  0  0
 12 15  1  0  2  0  0
 13 16  1  0  2  0  0
 14 17  1  0  2  0  0
 14 18  1  0  2  0  0
 15 19  1  0  2  0  0
 16 20  1  0  2  0  0
 17 21  1  0  2  0  0
 19 22  1  0  2  0  0
 21 23  1  0  2  0  0
 18 20  1  0  2  0  0
 22 23  1  0  2  0  0
M  END

4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tric

₹ 0.00 0.00

Chemical Name - 4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane
Mol Weight - 332.439
Smiles - C(COCC1)N2CCOCCOCCN1CCOCCOCC2

Property Name	Property Value
Mol Name	4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane
Molweight	332.439
Monoisotopic Mass	332.231123
Clogp	-1.2275
Clogs	0.873
H Acceptors	7
Total Surface Area	277.26
Relative Psa	0.20594
Polar Surface Area	52.63
Druglikeness	-9.0755
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.43478
Molecular Flexibility	0.46207
Molecular Complexity	0.55303
Fragments	1
Non H Atoms	23
Non Ch Atoms	7
Electronegative Atoms	7
Rings Closures	2
Sp3 Atoms	23
Symmetric Atoms	15
Amines	2
Alkyl Amines	2
Basic Nitrogens	2
Smiles	C(COCC1)N2CCOCCOCCN1CCOCCOCC2
InChIKey	InChI=1S/C16H32N2O5/c1-7-19-8-2-18-5-11-22-15-13-20-9-3-17(1)4-10-21-14-16-23-12-6-18/h1-16H2
InChI	HDLXPNDSLDLJHF-UHFFFAOYSA-N

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1 - 4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane
2 - 4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane

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Lead Nitrate - 1005

4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tric