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Compound 9
  CheckMol                        TMF02:r0:m0
MF=C13H13N3 MW=211.27
 16 17  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5145   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2778    2.2717   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3251    2.2717   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5675    1.5381   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6385    1.5381   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5556    0.0473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8571    2.2953   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9518    2.3072   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6503    0.0473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8453   -0.6981   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1468    1.5500   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2651    1.5736   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9636   -0.6862   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0592   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2769    0.0828   -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  1  0  0  0  0
  5  7 02  0  1  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  6 10 01  0  1  0  0
  7 11 01  0  1  0  0
  8 12 02  0  1  0  0
  9 13 01  0  1  0  0
 10 14 02  0  1  0  0
 11 15 02  0  1  0  0
 13 16 02  0  1  0  0
 12 15 01  0  1  0  0
 14 16 01  0  1  0  0
M  END

Diphenyl Guanidine

₹ 0.00 0.00

Chemical Name - Diphenyl Guanidine
Mol Weight - 211.267
Smiles - N=C(Nc1ccccc1)Nc1ccccc1

Property Name	Property Value
Mol Name	Diphenyl Guanidine
Molweight	211.267
Monoisotopic Mass	211.110947
Clogp	2.402
Clogs	-2.824
H Acceptors	3
H Donors	3
Total Surface Area	176.25
Relative Psa	0.21855
Polar Surface Area	47.91
Druglikeness	0.98686
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6875
Molecular Flexibility	0.43678
Molecular Complexity	0.44793
Fragments	1
Non H Atoms	16
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetric Atoms	9
Basic Nitrogens	1
Smiles	N=C(Nc1ccccc1)Nc1ccccc1
InChIKey	InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)
InChI	OWRCNXZUPFZXOS-UHFFFAOYSA-N

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Diphenyl Guanidine