Chem Benzyl Salicylate Karoma

Compound 34
  CheckMol                        TMF02:r0:m0
MF=C14H12O3 MW=228.25
 17 18  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4914   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3257   -2.2252   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2783   -2.2252   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6395   -1.4677   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -3.7166   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5685   -1.4677   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9533   -2.2016   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4505   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5566   -4.4623   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8586   -2.2134   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2672   -1.4322   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9652   -3.6929   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8468   -3.7048   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5810   -2.1660   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2790   -4.4268   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5928   -3.6574   -0.0000 C   0 00  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 02  0  1  0  0
  8 13 01  0  1  0  0
 10 14 02  0  1  0  0
 12 15 01  0  1  0  0
 13 16 02  0  1  0  0
 15 17 02  0  1  0  0
 11 14 01  0  1  0  0
 16 17 01  0  1  0  0
M  END

Benzyl Salicylate

₹ 0.00 0.00

Chemical Name - Benzyl Salicylate
Mol Weight - 228.246
Smiles - Oc(cccc1)c1C(OCc1ccccc1)=O

Property Name	Property Value
Mol Name	Benzyl Salicylate
Molweight	228.246
Monoisotopic Mass	228.078645
Clogp	2.645
Clogs	-2.784
H Acceptors	3
H Donors	1
Total Surface Area	180.88
Relative Psa	0.1998
Polar Surface Area	46.53
Druglikeness	-1.4716
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Shape Index	0.64706
Molecular Flexibility	0.42837
Molecular Complexity	0.59413
Fragments	1
Non H Atoms	17
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	3
Symmetric Atoms	2
Smiles	Oc(cccc1)c1C(OCc1ccccc1)=O
InChIKey	InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChI	ZCTQGTTXIYCGGC-UHFFFAOYSA-N

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Benzyl Salicylate