Chemical Name - 4-methylbenzaldehydeoxime
Mol Weight - 135.165
Smiles - Cc1ccc(C=NO)cc1
Mol Weight - 135.165
Smiles - Cc1ccc(C=NO)cc1
| Property Value | |
| Mol Name | 4-methylbenzaldehydeoxime |
| Molweight | 135.165 |
| Monoisotopic Mass | 135.068414 |
| Clogp | 2.5582 |
| Clogs | -2.659 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 116.63 |
| Relative Psa | 0.21101 |
| Polar Surface Area | 32.59 |
| Druglikeness | -1.0313 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.8 |
| Molecular Flexibility | 0.35807 |
| Molecular Complexity | 0.55452 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 2 |
| Smiles | Cc1ccc(C=NO)cc1 |
| InChIKey | InChI=1S/C8H9NO/c1-7-2-4-8(5-3-7)6-9-10/h2-6,10H,1H3 |
| InChI | SRNDYVBEUZSFEZ-UHFFFAOYSA-N |
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1 - 4-methylbenzaldehydeoxime
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1 - 4-methylbenzaldehydeoxime
2 - 4-methylbenzaldehydeoxime
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