Compound 78
  CheckMol                        TMF02:r0:m0
MF=C18H19ClN4 MW=326.83
 23 26  0  7  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5533    1.4008   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.3649    2.5780   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.0482    1.6362   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.1883    3.9788   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6015    3.0371   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.8946    5.0029   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    4.2142   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.7769    6.5097   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4367    5.5208   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0600    7.2630   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4709    7.3690   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9070    6.9217   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0482    8.7698   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3431    6.5332   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1530    8.8404   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0135    7.9458   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3313    9.5232   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6262    7.2866   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2596    9.8645   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6957    9.4172   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6144    8.7816   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8975    9.5349   -0.0000 C   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  1  0  0
  5  8 02  0  2  0  0
  7  9  1  0  1  0  0
  8 10  1  0  1  0  0
  9 11  1  0  0  0  0
  9 12  2  0  1  0  0
 10 13  2  0  1  0  0
 11 14  1  0  1  0  0
 11 15  1  0  1  0  0
 12 16  1  0  1  0  0
 13 17  1  0  1  0  0
 14 18  1  0  1  0  0
 15 19  1  0  1  0  0
 16 20  2  0  1  0  0
 17 21  2  0  1  0  0
 18 22  1  0  1  0  0
 22 23  1  0  0  0  0
  6  8 01  0  1  0  0
 12 13  1  0  2  0  0
 19 22  1  0  1  0  0
 20 21  1  0  1  0  0
M  END

2D Structure

Clozapine

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Chemical Name - Clozapine
Mol Weight - 326.83
Smiles - CN(CC1)CCN1C1=C(C=CC=C2)C2=Nc(ccc(Cl)c2)c2N1

Property Name	Property Value
Mol Name	Clozapine
Molweight	326.83
Monoisotopic Mass	326.129823
Clogp	2.4775
Clogs	-3.744
H Acceptors	4
H Donors	1
Total Surface Area	246.43
Relative Psa	0.12202
Polar Surface Area	30.87
Druglikeness	7.8297
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.47826
Molecular Flexibility	0.2862
Molecular Complexity	0.86986
Fragments	1
Non H Atoms	23
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Symmetric Atoms	2
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CN(CC1)CCN1C1=C(C=CC=C2)C2=Nc(ccc(Cl)c2)c2N1
InChIKey	InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
InChI	ZUXABONWMNSFBN-UHFFFAOYSA-N

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1 — Clozapine | 2 — Clozapine