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CTC


  • SKU Code: CH136718
Chemical Name - CTC
Mol Weight - 478.884
Smiles - C[C@]([C@@H](C[C@@H]([C@@H](C(/C(/C1=O)=C(/N)O)=O)N(C)C)[C@@]1(C1=O)O)C1=C(c1c(cc2)O)O)(c1c2Cl)O
Property Name Property Value
Mol NameCTC
Molweight478.884
Monoisotopic Mass478.114295
Clogp-0.4925
Clogs-3.183
H Acceptors10
H Donors6
Total Surface Area306.7
Relative Psa0.40248
Polar Surface Area181.62
Druglikeness4.873
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Shape Index0.36364
Molecular Flexibility0.23725
Molecular Complexity1.0841
Fragments1
Non H Atoms33
Non Ch Atoms11
Electronegative Atoms11
Stereo Centers5
Rotatable Bonds1
Rings Closures4
Small Rings4
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms15
Symmetric Atoms1
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesC[C@]([C@@H](C[C@@H]([C@@H](C(/C(/C1=O)=C(/N)O)=O)N(C)C)[C@@]1(C1=O)O)C1=C(c1c(cc2)O)O)(c1c2Cl)O
InChIC22H23N2O8Cl

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