Property Value | |
Mol Name | 3 HYDROXY BENZALDEHYDE |
Molweight | 122.123 |
Monoisotopic Mass | 122.03678 |
Clogp | 1.2472 |
Clogs | -1.644 |
H Acceptors | 2 |
H Donors | 1 |
Total Surface Area | 99.15 |
Relative Psa | 0.26364 |
Polar Surface Area | 37.3 |
Druglikeness | -4.1407 |
Mutagenic | high |
Tumorigenic | none |
Reproductive Effective | none |
Irritant | low |
Shape Index | 0.66667 |
Molecular Flexibility | 0.33178 |
Molecular Complexity | 0.65976 |
Fragments | 1 |
Non H Atoms | 9 |
Non Ch Atoms | 2 |
Electronegative Atoms | 2 |
Rotatable Bonds | 1 |
Rings Closures | 1 |
Small Rings | 1 |
Aromatic Rings | 1 |
Aromatic Atoms | 6 |
Sp3 Atoms | 1 |
Smiles | Oc1cccc(C=O)c1 |
InChIKey |
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