N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridin-2-amine
Formula:C16H12N4O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridin-2-amine |
| MolecularFormula | C16H12N4O3 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\Nc2ncccc2)o1)=O |
| InChI | InChI=1S/C16H12N4O3/c21-20(22)13-6-4-12(5-7-13)15-9-8-14(23-15)11-18-19-16-3-1-2-10-17-16/h1-11H,(H,17,19) |
| InChIK | VUSILNLOUCCVQL-UHFFFAOYSA-N |
| TotalMolweight | 308.296 |
| Molweight | 308.296 |
| MonoisotopicMass | 308.090941 |
| CLogP | 4.0383 |
| CLogS | -4.799 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 241.12 |
| Relative PSA | 0.32544 |
| PolarSurfaceArea | 96.24 |
| Druglikeness | -0.77506 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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