Chemical Name - (2-Aminoacetophenone)
Mol Weight - 135.165
Smiles - NCC(c1ccccc1)=O
Mol Weight - 135.165
Smiles - NCC(c1ccccc1)=O
| Property Value | |
| Mol Name | (2-Aminoacetophenone) |
| Molweight | 135.165 |
| Monoisotopic Mass | 135.068414 |
| Clogp | 0.2063 |
| Clogs | -1.869 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 113.29 |
| Relative Psa | 0.24989 |
| Polar Surface Area | 43.09 |
| Druglikeness | -1.0749 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.7 |
| Molecular Flexibility | 0.43214 |
| Molecular Complexity | 0.55452 |
| Fragments | 1 |
| Non H Atoms | 10 |
| 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 | 2 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | NCC(c1ccccc1)=O |
| InChIKey | InChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2 |
| InChI | HEQOJEGTZCTHCF-UHFFFAOYSA-N |
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