[(E)-[amino(pyridin-4-yl)methylidene]amino] 2-phenylbenzoate
Formula:C19H15N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino(pyridin-4-yl)methylidene]amino] 2-phenylbenzoate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-4-yl)methylidene]amino] 2-phenylbenzoate |
| MolecularFormula | C19H15N3O2 |
| Smiles | N/C(/c1ccncc1)=N/OC(c(cccc1)c1-c1ccccc1)=O |
| InChI | InChI=1S/C19H15N3O2/c20-18(15-10-12-21-13-11-15)22-24-19(23)17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-13H,(H2,20,22) |
| InChIK | ISCRXEQYCZIFPR-UHFFFAOYSA-N |
| TotalMolweight | 317.347 |
| Molweight | 317.347 |
| MonoisotopicMass | 317.116427 |
| CLogP | 3.7304 |
| CLogS | -4.827 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.78 |
| Relative PSA | 0.2424 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -2.754 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-4-yl)methylidene]amino] 2-phenylbenzoate | 2 - [(E)-[amino(pyridin-4-yl)methylidene]amino] 2-phenylbenzoate
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