N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine
Formula:C19H13N5O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine |
| MolecularFormula | C19H13N5O3 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2nc3ccccc3c(-c3ccccc3)n2)o1)=O |
| InChI | InChI=1S/C19H13N5O3/c25-24(26)17-11-10-14(27-17)12-20-23-19-21-16-9-5-4-8-15(16)18(22-19)13-6-2-1-3-7-13/h1-12H,(H,21,22,23) |
| InChIK | KOOQCQULJPBWDU-UHFFFAOYSA-N |
| TotalMolweight | 359.344 |
| Molweight | 359.344 |
| MonoisotopicMass | 359.10184 |
| CLogP | 5.3328 |
| CLogS | -6.362 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 274.48 |
| Relative PSA | 0.32585 |
| PolarSurfaceArea | 109.13 |
| Druglikeness | 0.98271 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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