Chem Oxaliplatin Unilink | Cheminformatics
2D Structure

Oxaliplatin


  • SKU Code: CH139796
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Chemical Name - Oxaliplatin
Mol Weight - 114.191
Smiles - NC(CCCC1)C1N.[O-]C(C([O-])=O)=O.[Pt+2]
Property Name Property Value
Mol NameOxaliplatin
Molweight114.191
Monoisotopic Mass114.115698
Clogp-0.4478
Clogs-1.504
H Acceptors2
H Donors2
Total Surface Area97.08
Relative Psa0.31459
Polar Surface Area52.04
Druglikeness-9.9389
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.625
Molecular Flexibility0.29973
Molecular Complexity0.59947
Fragments3
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Stereo Centers2
Rings Closures1
Small Rings1
Sp3 Atoms8
Symmetric Atoms4
Amines2
Alkyl Amines2
Basic Nitrogens2
SmilesNC(CCCC1)C1N.[O-]C(C([O-])=O)=O.[Pt+2]
InChIKeyInChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2/p-2
InChIZROHGHOFXNOHSO-UHFFFAOYSA-L

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