Chem 1 4 Chlorobenzhydrylpiperazine Unilink

Compound 47
  CheckMol                        TMF02:r0:m0
MF=C17H19ClN2 MW=286.80
 20 22  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3054    0.7527   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3171    2.2580   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6108    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6225    3.0106   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9162    0.7762   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9279    2.2697   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2333    3.0224   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5387    2.2932   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2451    4.5277   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8441    3.0577   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5505    0.8115   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9632    5.2804   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5505    5.2804   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1495    2.3285   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8558    0.0823   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9750    6.7857   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5622    6.7857   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1612    0.8467   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2804    7.5383   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  1  0  0
  9 12  1  0  1  0  0
 10 13 02  0  1  0  0
 10 14 01  0  1  0  0
 11 15  1  0  1  0  0
 12 16  1  0  1  0  0
 13 17 01  0  1  0  0
 14 18 02  0  1  0  0
 15 19  1  0  1  0  0
 17 20 02  0  1  0  0
  6  7 01  0  1  0  0
 16 19  1  0  1  0  0
 18 20 01  0  1  0  0
M  END

1-(4-CHLOROBENZHYDRYL)PIPERAZINE

₹ 0.00 0.00

Chemical Name - 1-(4-CHLOROBENZHYDRYL)PIPERAZINE
Mol Weight - 286.805
Smiles - Clc1ccc(C(c2ccccc2)N2CCNCC2)cc1

Property Name	Property Value
Mol Name	1-(4-CHLOROBENZHYDRYL)PIPERAZINE
Molweight	286.805
Monoisotopic Mass	286.123675
Clogp	3.4298
Clogs	-3.057
H Acceptors	2
H Donors	1
Total Surface Area	224.24
Relative Psa	0.066937
Polar Surface Area	15.27
Druglikeness	3.2589
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.30601
Molecular Complexity	0.71863
Fragments	1
Non H Atoms	20
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	1
Rotatable Bonds	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	7
Symmetric Atoms	6
Amines	2
Alkyl Amines	2
Basic Nitrogens	2
Smiles	Clc1ccc(C(c2ccccc2)N2CCNCC2)cc1
InChIKey	InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
InChI	UZKBSZSTDQSMDR-UHFFFAOYSA-N

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1 - 1-(4-CHLOROBENZHYDRYL)PIPERAZINE
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1-(4-CHLOROBENZHYDRYL)PIPERAZINE