Q27263085
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| Name | Dimethyl anthranilate |
| Wikidata | Q27263085 |
| Mol. formula | C9H11NO2 |
| CAS registry number | - |
| Mol. weight | 165.1895 |
Representations
| Temporary LOTUS id | LTS0093066 |
| Name | Dimethyl anthranilate |
| Canonical SMILES | CNc1ccccc1C(=O)OC |
| 2D SMILES | CNc1ccccc1C(=O)OC |
| IUPAC name | methyl 2-(methylamino)benzoate |
| InChI | InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3 |
| InChIKey | GVOWHGSUZUUUDR-UHFFFAOYSA-N |
| Deep SMILES | could not be computed |
| Murcko Framework | c1ccccc1 |
Organism taxonomy
Chemical ontology
| Pathway | Superclass | Class |
| Alkaloids | Anthranilic acid alkaloids | Anthranillic acid derivatives |
Molecular Properties
| Total atom number | 23 |
| Heavy atom number | 12 |
| Bond count | 12 |
| Number of carbons | 9 |
| Minimal number of rings | 1 |
| Maximal number of rings | 1 |
Molecular Descriptors
| NP-likeness score | 1.01 |
| Alogp | 1.49 |
| Alogp2 | 2.23 |
| Apol | 25.8787 |
| Bpol | 15.5593 |
| EccentricConnectivityIndexDescriptor | 110 |
| FmfDescriptor | 0.5 |
| Fsp3 | 0.2222 |
| FragmentComplexityDescriptor | 397.03 |
| PetitjeanNumber | 0.5 |
| LipinskiRuleOf5Failures | 0 |
| WienerPathNumber | 194 |
| Xlogp | 2.033 |
| ZagrebIndex | 54 |
| TopoPSA | 38.33 |
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