Compound 71
  CheckMol                        TMF02:r0:m0
MF=C17H20N4S MW=312.43
 22 25  0  7  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0 00  0  0  0  0  0  0  0  0  0  0
    0.8551   -1.2233   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.8908    1.2233   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.2969   -2.6129   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2803   -0.7720   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.3041    0.7482   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.4394    2.6723   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333   -3.9075   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.5155   -1.6152   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5179   -4.1212   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.0831   -5.0714   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.8551   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6105   -3.1117   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0523   -5.5108   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.6176   -6.4610   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.7982    0.6651   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1047   -1.5915   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022   -6.6747   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.0928    1.4252   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3992   -0.8314   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3874    0.6770   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6819    1.4371   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2 01  0  1  0  0
  1  3 01  0  1  0  0
  2  4  2  0  1  0  0
  2  5 01  0  2  0  0
  3  6 02  0  1  0  0
  3  7  1  0  0  0  0
  4  8  1  0  1  0  0
  5  9  2  0  1  0  0
  8 10 02  0  2  0  0
  8 11 01  0  1  0  0
  9 12  1  0  0  0  0
  9 13  1  0  1  0  0
 10 14 01  0  1  0  0
 11 15 02  0  1  0  0
 12 16  1  0  1  0  0
 12 17  1  0  1  0  0
 14 18 02  0  1  0  0
 16 19  1  0  1  0  0
 17 20  1  0  1  0  0
 19 21  1  0  1  0  0
 21 22  1  0  0  0  0
  5  6 01  0  1  0  0
 10 13  1  0  1  0  0
 15 18 01  0  1  0  0
 20 21  1  0  1  0  0
M  END

2D Structure

Olanzapine

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Chemical Name - Olanzapine
Mol Weight - 312.44
Smiles - CC(SC1=Nc(cccc2)c2N2)=CC1=C2N1CCN(C)CC1

Property Name	Property Value
Mol Name	Olanzapine
Molweight	312.44
Monoisotopic Mass	312.140866
Clogp	1.9037
Clogs	-2.821
H Acceptors	4
H Donors	1
Total Surface Area	232.47
Relative Psa	0.20459
Polar Surface Area	56.17
Druglikeness	8.4955
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.24925
Molecular Complexity	0.85157
Fragments	1
Non H Atoms	22
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	8
Symmetric Atoms	2
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CC(SC1=Nc(cccc2)c2N2)=CC1=C2N1CCN(C)CC1
InChIKey	InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3
InChI	WXPNDRBBWZMPQG-UHFFFAOYSA-N

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1 — Olanzapine | 2 — Olanzapine