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Compound 105
  CheckMol                        TMF02:r0:m0
MF=C30H53NO11 MW=603.75
 42 42  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4875   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -2.2194   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -2.2194   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6326   -1.4638   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5617   -1.4638   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2632   -3.7068   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9429   -2.1958   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8485   -2.1958   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5499   -4.4387   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2533   -1.4402   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8367   -3.6832   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5637   -2.1722   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1234   -4.4151   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8741   -1.4166   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1116   -5.9026   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1844   -2.1485   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3984   -6.6345   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4948   -1.3930   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3866   -8.1220   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8052   -2.1249   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6734   -8.8657   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1156   -1.3694   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4259   -2.1013   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7363   -1.3458   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0467   -2.0777   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3570   -1.3222   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6674   -2.0541   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.9778   -1.2986   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -22.2882   -2.0305   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.5985   -1.2750   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.9089   -2.0069   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -26.2193   -1.2513   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -27.5297   -1.9833   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -28.8400   -1.2277   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -30.1504   -1.9597   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -31.4608   -1.2041   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -32.7712   -1.9360   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -34.0815   -1.1805   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -35.3919   -1.9124   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -36.7023   -1.1569   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -38.0127   -1.8888   -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
  3  5  1  0  0  0  0
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8  1  0  0  0  0
  6  9 01  0  1  0  0
  7 10 02  0  1  0  0
  8 11  1  0  0  0  0
  9 12 02  0  1  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 10 12 01  0  1  0  0
M  END

Benzonatate

₹ 0.00 0.00

Chemical Name - Benzonatate
Mol Weight - 603.747
Smiles - CCCCNc(cc1)ccc1C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)=O

Property Name	Property Value
Mol Name	Benzonatate
Molweight	603.747
Monoisotopic Mass	603.361864
Clogp	1.7022
Clogs	-1.946
H Acceptors	12
H Donors	1
Total Surface Area	515.95
Relative Psa	0.2413
Polar Surface Area	121.4
Druglikeness	-12.602
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.92857
Molecular Flexibility	0.68221
Molecular Complexity	0.62421
Fragments	1
Non H Atoms	42
Non Ch Atoms	12
Electronegative Atoms	12
Rotatable Bonds	33
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	33
Symmetric Atoms	2
Amines	1
Aromatic Amines	1
Smiles	CCCCNc(cc1)ccc1C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)=O
InChIKey
InChI	C30H53NO11

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Benzonatate