Chemical Name - 4-Aminoantipyrine
Mol Weight - 203.244
Smiles - CC(N(C)N(C1=O)c2ccccc2)=C1N
Mol Weight - 203.244
Smiles - CC(N(C)N(C1=O)c2ccccc2)=C1N
| Property Value | |
| Mol Name | 4-Aminoantipyrine |
| Molweight | 203.244 |
| Monoisotopic Mass | 203.105862 |
| Clogp | -0.3157 |
| Clogs | -1.496 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 154.07 |
| Relative Psa | 0.22983 |
| Polar Surface Area | 49.57 |
| Druglikeness | 2.2459 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.53333 |
| Molecular Flexibility | 0.28525 |
| Molecular Complexity | 0.73199 |
| Fragments | 1 |
| Non H Atoms | 15 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 2 |
| Basic Nitrogens | 1 |
| Smiles | CC(N(C)N(C1=O)c2ccccc2)=C1N |
| InChIKey | InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3 |
| InChI | RLFWWDJHLFCNIJ-UHFFFAOYSA-N |
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