Compound 93
  CheckMol                        TMF02:r0:m0
MF=C8H9NO MW=135.17
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2918    0.7585   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5835    0.0119   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8753    0.7703   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8634    2.2872   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1670    0.0356   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1552    3.0575   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4588    0.8059   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4469    2.3228   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7387    3.0812   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  3  0  0  0
  3  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 02  0  1  0  0
  9 10  1  0  0  0  0
  8  9 01  0  1  0  0
M  END

2D Structure

4-methylbenzaldehydeoxime

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Chemical Name - 4-methylbenzaldehydeoxime
Mol Weight - 135.165
Smiles - Cc1ccc(C=NO)cc1

Property Name	Property Value
Mol Name	4-methylbenzaldehydeoxime
Molweight	135.165
Monoisotopic Mass	135.068414
Clogp	2.5582
Clogs	-2.659
H Acceptors	2
H Donors	1
Total Surface Area	116.63
Relative Psa	0.21101
Polar Surface Area	32.59
Druglikeness	-1.0313
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.8
Molecular Flexibility	0.35807
Molecular Complexity	0.55452
Fragments	1
Non H Atoms	10
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Symmetric Atoms	2
Smiles	Cc1ccc(C=NO)cc1
InChIKey	InChI=1S/C8H9NO/c1-7-2-4-8(5-3-7)6-9-10/h2-6,10H,1H3
InChI	SRNDYVBEUZSFEZ-UHFFFAOYSA-N

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1 — 4-methylbenzaldehydeoxime | 2 — 4-methylbenzaldehydeoxime