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Parameter | Description |
---|---|
Estructure Mol | A estructure image of the molecule. |
Chemical Safety | Show the icons of molecule's chemical safety. |
Description | A description of molecule |
Synonyms | A ranked list of all the names associated with this Compound. |
Molecular Formula | Molecular formula. |
Molecular Weight | Molecular Weight. |
Canonical SMILES | Canonical SMILES, with no stereochemistry information. |
Isomeric SMILES | Isomeric SMILES. |
InChI | InChI string. |
InChIKey | InChIKey. |
IUPAC | Preferred IUPAC name. |
XLogP | XLogP. |
Linpiski Violations | RO5 Linpiski violations. |
Exact Mass | Exact mass. |
Monoisotopic Mass | Monoisotopic mass. |
TPSA | Topological Polar Surface Area. |
H-Bond Donors | Hydrogen bond donor count. |
H-Bond Acceptors | Hydrogen bond acceptor count. |
Rotatable Bonds | Rotatable bond count. |