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Adapalene


  • SKU Code: CH136939
Chemical Name - Adapalene
Mol Weight - 412.527
Smiles - COc(cc1)c(C2(CC(C3)C4)CC4CC3C2)cc1-c1ccc(cc(cc2)C(O)=O)c2c1
Property Name Property Value
Mol NameAdapalene
Molweight412.527
Monoisotopic Mass412.203845
Clogp6.0586
Clogs-8.047
H Acceptors3
H Donors1
Total Surface Area303.95
Relative Psa0.1189
Polar Surface Area46.53
Druglikeness-0.92
Mutagenichigh
Tumorigeniclow
Reproductive Effectivehigh
Irritantnone
Shape Index0.48387
Molecular Flexibility0.33235
Molecular Complexity0.85194
Fragments1
Non H Atoms31
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds4
Rings Closures6
Small Rings7
Aromatic Rings3
Aromatic Atoms16
Sp3 Atoms13
Symmetric Atoms6
Acidic Oxygens1
SmilesCOc(cc1)c(C2(CC(C3)C4)CC4CC3C2)cc1-c1ccc(cc(cc2)C(O)=O)c2c1
InChIC28H28O3

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