[(E)-[amino(pyridin-4-yl)methylidene]amino] naphthalene-1-carboxylate
Formula:C17H13N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino(pyridin-4-yl)methylidene]amino] naphthalene-1-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-4-yl)methylidene]amino] naphthalene-1-carboxylate |
| MolecularFormula | C17H13N3O2 |
| Smiles | N/C(/c1ccncc1)=N/OC(c1cccc2ccccc12)=O |
| InChI | InChI=1S/C17H13N3O2/c18-16(13-8-10-19-11-9-13)20-22-17(21)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H2,18,20) |
| InChIK | JBDZSMSJEAKSLB-UHFFFAOYSA-N |
| TotalMolweight | 291.309 |
| Molweight | 291.309 |
| MonoisotopicMass | 291.100777 |
| CLogP | 3.2656 |
| CLogS | -4.347 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 225.62 |
| Relative PSA | 0.26944 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -2.754 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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