Mol Weight - 149.192
Smiles - CN(C)c1ccc(C=O)cc1
| Property Name | Property Value |
| Mol Name | 4-Dimethylaminobenzaldehyde |
| Molweight | 149.192 |
| Monoisotopic Mass | 149.084064 |
| Clogp | 1.4893 |
| Clogs | -1.976 |
| H Acceptors | 2 |
| Total Surface Area | 127.62 |
| Relative Psa | 0.13 |
| Polar Surface Area | 20.31 |
| Druglikeness | -1.8715 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.72727 |
| Molecular Flexibility | 0.4298 |
| Molecular Complexity | 0.6089 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Smiles | CN(C)c1ccc(C=O)cc1 |
| InChIKey | InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3 |
| InChI | BGNGWHSBYQYVRX-UHFFFAOYSA-N |
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1 — 4-Dimethylaminobenzaldehyde | 2 — 4-Dimethylaminobenzaldehyde