Chem 4 4 Formyl Phenoxybenzaldehyde Ncc

Compound 134
  CheckMol                        TMF02:r0:m0
MF=C14H10O3 MW=226.23
 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
   -1.3139    0.7576   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6278    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9417    0.7931   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6397   -1.4678   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2557    0.0592   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9536   -2.2017   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2675   -1.4323   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5814   -2.1662   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5932   -3.6576   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.9072   -4.3915   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3030   -4.4034   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.9190   -5.8830   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3148   -5.8949   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.6287   -6.6169   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.6406   -8.1084   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3503   -8.8541   -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
  3  4 02  0  1  0  0
  3  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8 02  0  1  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11 02  0  1  0  0
 10 12 01  0  1  0  0
 11 13 01  0  1  0  0
 12 14 02  0  1  0  0
 13 15 02  0  1  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  7  8 01  0  1  0  0
 14 15 01  0  1  0  0
M  END

4-(4-formyl phenoxy)benzaldehyde

₹ 0.00 0.00

Chemical Name - 4-(4-formyl phenoxy)benzaldehyde
Mol Weight - 226.23
Smiles - O=Cc(cc1)ccc1Oc1ccc(C=O)cc1
InChI - GXZZHLULZRMUQC-UHFFFAOYSA-N
InChIKey - InChI=1S/C14H10O3/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-10H

Property Name	Property Value
Mol Name	4-(4-formyl phenoxy)benzaldehyde
Molweight	226.23
Monoisotopic Mass	226.062995
Clogp	2.9218
Clogs	-4.561
H Acceptors	3
Total Surface Area	182.1
Relative Psa	0.19813
Polar Surface Area	43.37
Druglikeness	-4.177
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.76471
Molecular Flexibility	0.48486
Molecular Complexity	0.58727
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	1
Symmetric Atoms	10
Smiles	O=Cc(cc1)ccc1Oc1ccc(C=O)cc1
InChIKey	InChI=1S/C14H10O3/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-10H
InChI	GXZZHLULZRMUQC-UHFFFAOYSA-N

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4-(4-formyl phenoxy)benzaldehyde