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Compound 12
  CheckMol                        TMF02:r0:m0
MF=C16H22O4 MW=278.35
 20 20  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4934   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2801   -2.2402   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275   -2.2402   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5720   -1.4816   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3394   -3.7336   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6431   -1.4697   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8640   -2.2283   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4803   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6550   -4.4685   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9588   -2.2046   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1559   -1.4697   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0593   -5.9738   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2445   -3.7217   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9706   -3.7099   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4479   -2.2165   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365   -4.4685   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8284   -3.7099   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1204   -4.4566   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4123   -3.6980   -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  1  0  0  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15 02  0  1  0  0
 12 16  1  0  0  0  0
 14 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
 11 15 01  0  1  0  0
M  END

DBP

₹ 0.00 0.00

Chemical Name - DBP
Mol Weight - 278.347
Smiles - CCCCOC(c(cccc1)c1C(OCCCC)=O)=O

Property Name	Property Value
Mol Name	DBP
Molweight	278.347
Monoisotopic Mass	278.15181
Clogp	4.1158
Clogs	-3.578
H Acceptors	4
Total Surface Area	235.84
Relative Psa	0.19539
Polar Surface Area	52.6
Druglikeness	-6.4287
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.7
Molecular Flexibility	0.54357
Molecular Complexity	0.70997
Fragments	1
Non H Atoms	20
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	10
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	10
Symmetric Atoms	10
Smiles	CCCCOC(c(cccc1)c1C(OCCCC)=O)=O
InChIKey
InChI	C16H22O4

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DBP