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