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Chem Pentaerythritol | Cheminformatics

Pentaerythritol


  • SKU Code: CH137331
Chemical Name - Pentaerythritol
Mol Weight - 136.146
Smiles - OCC(CO)(CO)CO
Property Name Property Value
Mol NamePentaerythritol
Molweight136.146
Monoisotopic Mass136.07356
Clogp-1.4911
Clogs0.437
H Acceptors4
H Donors4
Total Surface Area104.35
Relative Psa0.50216
Polar Surface Area80.92
Druglikeness-5.0775
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.55556
Molecular Flexibility0.87435
Molecular Complexity0.48648
Fragments1
Non H Atoms9
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds4
Sp3 Atoms9
Symmetric Atoms6
SmilesOCC(CO)(CO)CO
InChIKeyInChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2
InChIWXZMFSXDPGVJKK-UHFFFAOYSA-N

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