[(E)-[amino(phenyl)methylidene]amino] naphthalene-2-carboxylate
Formula:C18H14N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino(phenyl)methylidene]amino] naphthalene-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] naphthalene-2-carboxylate |
| MolecularFormula | C18H14N2O2 |
| Smiles | N/C(/c1ccccc1)=N/OC(c1cc2ccccc2cc1)=O |
| InChI | InChI=1S/C18H14N2O2/c19-17(14-7-2-1-3-8-14)20-22-18(21)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H,(H2,19,20) |
| InChIK | OPOFLOGCIJXKJE-UHFFFAOYSA-N |
| TotalMolweight | 290.321 |
| Molweight | 290.321 |
| MonoisotopicMass | 290.105528 |
| CLogP | 4.2665 |
| CLogS | -5.142 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 226.86 |
| Relative PSA | 0.21961 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.754 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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