Chem 3 Chlorophenyl Piperazine

Compound 41
  CheckMol                        TMF02:r0:m0
MF=C10H13ClN2 MW=196.68
 13 14  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3045   -0.7286   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6090    0.0353   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3163   -2.2094   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9135   -0.6934   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.9381   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2180    0.0705   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9253   -2.1742   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2298    1.5748   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5225   -0.6581   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5343    2.3387   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8270    0.1058   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8388    1.6101   -0.0000 N   0  0  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  1  0  0  0  0
  5  8 02  0  1  0  0
  7  9  1  0  1  0  0
  7 10  1  0  1  0  0
  9 11  1  0  1  0  0
 10 12  1  0  1  0  0
 11 13  1  0  1  0  0
  6  8 01  0  1  0  0
 12 13  1  0  1  0  0
M  END

3-Chlorophenyl Piperazine

₹ 0.00 0.00

Chemical Name - 3-Chlorophenyl Piperazine
Mol Weight - 196.68
Smiles - Clc1cc(N2CCNCC2)ccc1

Property Name	Property Value
Mol Name	3-Chlorophenyl Piperazine
Molweight	196.68
Monoisotopic Mass	196.076725
Clogp	1.7911
Clogs	-2.319
H Acceptors	2
H Donors	1
Total Surface Area	151.98
Relative Psa	0.098763
Polar Surface Area	15.27
Druglikeness	2.845
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.61538
Molecular Flexibility	0.35331
Molecular Complexity	0.58006
Fragments	1
Non H Atoms	13
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	5
Symmetric Atoms	2
Amines	2
Alkyl Amines	1
Aromatic Amines	1
Basic Nitrogens	1
Smiles	Clc1cc(N2CCNCC2)ccc1
InChIKey	InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
InChI	VHFVKMTVMIZMIK-UHFFFAOYSA-N

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3-Chlorophenyl Piperazine