Chem O Dianisidine Molychem

Compound 352
  CheckMol                        TMF02:r0:m0
MF=C14H16N2O2 MW=244.29
 18 19  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3062   -0.7414   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2827   -0.7414   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3180   -2.2241   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6124    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0353   -2.9654   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6241   -2.9536   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9186   -0.7060   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9303   -2.2005   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2248    0.0588   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5309   -0.6707   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2365    1.5651   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8371    0.0941   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5427    2.3300   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1433   -0.6472   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8489    1.6004   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1551   -2.1299   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1551    2.3653   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  4  6  1  0  0  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  7  9 02  0  1  0  0
  8 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  1  0  0  0  0
 13 16 02  0  1  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8  9 01  0  1  0  0
 14 16 01  0  1  0  0
M  END

O-Dianisidine

₹ 0.00 0.00

Chemical Name - O-Dianisidine
Mol Weight - 244.293
Smiles - COc(cc(cc1)-c(cc2)cc(OC)c2N)c1N

Property Name	Property Value
Mol Name	O-Dianisidine
Molweight	244.293
Monoisotopic Mass	244.121178
Clogp	1.8242
Clogs	-3.89
H Acceptors	4
H Donors	2
Total Surface Area	194.58
Relative Psa	0.25974
Polar Surface Area	70.5
Druglikeness	-1.6323
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Shape Index	0.55556
Molecular Flexibility	0.41802
Molecular Complexity	0.73284
Fragments	1
Non H Atoms	18
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	4
Symmetric Atoms	9
Amines	2
Aromatic Amines	2
Smiles	COc(cc(cc1)-c(cc2)cc(OC)c2N)c1N
InChIKey	InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3
InChI	JRBJSXQPQWSCCF-UHFFFAOYSA-N

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O-Dianisidine