Compound 51
  CheckMol                        TMF02:r0:m0
MF=C10H12O5 MW=212.20
 15 15  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    1.5119   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3229    2.2679   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2757    2.2679   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6341    1.5356   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5632    1.5356   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2639    3.7798   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9452    2.2915   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8507    2.2915   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5514    4.5358   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2563    1.5592   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1382    1.5474   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8389    3.8034   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5396    6.0477   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1264    4.5594   -0.0000 O   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  1  0  0  0  0
  9 13 02  0  1  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 10 13 01  0  1  0  0
M  END

2D Structure

Propyl gallate

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Chemical Name - Propyl gallate
Mol Weight - 212.2
Smiles - CCCOC(c(cc1O)cc(O)c1O)=O

Property Name	Property Value
Mol Name	Propyl gallate
Molweight	212.2
Monoisotopic Mass	212.068475
Clogp	1.3962
Clogs	-1.439
H Acceptors	5
H Donors	3
Total Surface Area	159.84
Relative Psa	0.39002
Polar Surface Area	86.99
Druglikeness	-1.5944
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.45284
Molecular Complexity	0.61487
Fragments	1
Non H Atoms	15
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	7
Symmetric Atoms	3
Smiles	CCCOC(c(cc1O)cc(O)c1O)=O
InChIKey	InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3
InChI	ZTHYODDOHIVTJV-UHFFFAOYSA-N

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1 — Propyl gallate | 2 — Propyl gallate