[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] benzoate
Formula:C19H16N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] benzoate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] benzoate |
| MolecularFormula | C19H16N2O2 |
| Smiles | N/C(/Cc1cccc2ccccc12)=N/OC(c1ccccc1)=O |
| InChI | InChI=1S/C19H16N2O2/c20-18(21-23-19(22)15-8-2-1-3-9-15)13-16-11-6-10-14-7-4-5-12-17(14)16/h1-12H,13H2,(H2,20,21) |
| InChIK | KRYNAAZXPDVAMS-UHFFFAOYSA-N |
| TotalMolweight | 304.348 |
| Molweight | 304.348 |
| MonoisotopicMass | 304.121178 |
| CLogP | 4.2646 |
| CLogS | -5.107 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.62 |
| Relative PSA | 0.20705 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.829 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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