Compound 44
  CheckMol                        TMF02:r0:m0
MF=C13H12N4O MW=240.26
 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
   -0.0118    1.5167   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3271    2.2751   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2797    2.2751   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6424    1.5404   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713    1.5404   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8629    2.2988   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5595    0.0474   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1545    1.5641   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8511    3.8155   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2442   -0.6873   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8511   -0.6991   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4461    2.3225   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1427    4.5739   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2323   -2.1803   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8392   -2.1922   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4343    3.8392   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5239   -2.9268   -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  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9 02  0  1  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
  8 12 01  0  1  0  0
  9 13 01  0  1  0  0
 10 14 02  0  1  0  0
 11 15 01  0  1  0  0
 12 16 02  0  1  0  0
 13 17 02  0  1  0  0
 15 18 02  0  1  0  0
 14 17 01  0  1  0  0
 16 18 01  0  1  0  0
M  END

2D Structure

Diphenyl Carbazone

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Chemical Name - Diphenyl Carbazone
Mol Weight - 240.265
Smiles - N=NC(NN(c1ccccc1)c1ccccc1)=O

Property Name	Property Value
Mol Name	Diphenyl Carbazone
Molweight	240.265
Monoisotopic Mass	240.101111
Clogp	2.2078
Clogs	-4.663
H Acceptors	5
H Donors	2
Total Surface Area	192.89
Relative Psa	0.28597
Polar Surface Area	68.55
Druglikeness	1.8182
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.48852
Molecular Complexity	0.55303
Fragments	1
Non H Atoms	18
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetric Atoms	8
Smiles	N=NC(NN(c1ccccc1)c1ccccc1)=O
InChIKey	InChI=1S/C13H12N4O/c14-15-13(18)16-17(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H,(H,16,18)
InChI	SLMGZQSBTPBYQR-UHFFFAOYSA-N

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1 — Diphenyl Carbazone | 2 — Diphenyl Carbazone