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Chem Hexamine 2flora | Cheminformatics

Hexamine


  • SKU Code: CH137069
Chemical Name - Hexamine
Mol Weight - 140.189
Smiles - C(N(C1)C2)N3CN2CN1C3
Property Name Property Value
Mol NameHexamine
Molweight140.189
Monoisotopic Mass140.106196
Clogp0.7196
Clogs-1.688
H Acceptors4
Total Surface Area96.76
Relative Psa0.14675
Polar Surface Area12.96
Druglikeness1.5849
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index0.5
Molecular Flexibility0.015309
Molecular Complexity0.56687
Fragments1
Non H Atoms10
Non Ch Atoms4
Electronegative Atoms4
Rings Closures3
Small Rings4
Sp3 Atoms10
Symmetric Atoms8
Basic Nitrogens4
SmilesC(N(C1)C2)N3CN2CN1C3
InChIKeyInChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
InChIVKYKSIONXSXAKP-UHFFFAOYSA-N

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1 - Hexamine
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