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Chem Olanzapine Unilink | Cheminformatics

Olanzapine


  • SKU Code: CH139840
Chemical Name - Olanzapine
Mol Weight - 312.44
Smiles - CC(SC1=Nc(cccc2)c2N2)=CC1=C2N1CCN(C)CC1
Property Name Property Value
Mol NameOlanzapine
Molweight312.44
Monoisotopic Mass312.140866
Clogp1.9037
Clogs-2.821
H Acceptors4
H Donors1
Total Surface Area232.47
Relative Psa0.20459
Polar Surface Area56.17
Druglikeness8.4955
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.5
Molecular Flexibility0.24925
Molecular Complexity0.85157
Fragments1
Non H Atoms22
Non Ch Atoms5
Electronegative Atoms5
Rotatable Bonds1
Rings Closures4
Small Rings4
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms8
Symmetric Atoms2
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesCC(SC1=Nc(cccc2)c2N2)=CC1=C2N1CCN(C)CC1
InChIKeyInChI=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
InChIWXPNDRBBWZMPQG-UHFFFAOYSA-N

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