Chem Adenine 2 Molychem | Cheminformatics
2D Structure

Adenine


  • SKU Code: CH141011
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Chemical Name - Adenine
Mol Weight - 135.13
Smiles - Nc1ncnc2c1[nH]cn2
Property Name Property Value
Mol NameAdenine
Molweight135.13
Monoisotopic Mass135.054495
Clogp-0.347
Clogs-2.269
H Acceptors5
H Donors2
Total Surface Area102.23
Relative Psa0.60814
Polar Surface Area80.48
Druglikeness-0.021492
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functions1
Shape Index0.5
Molecular Complexity0.78637
Fragments1
Non H Atoms10
Non Ch Atoms5
Electronegative Atoms5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms9
Aromatic Nitrogens4
Basic Nitrogens1
SmilesNc1ncnc2c1[nH]cn2
InChIKeyInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIGFFGJBXGBJISGV-UHFFFAOYSA-N

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