6-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine
Formula:C19H12N5O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
6-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine is not a drug-like molecule.
| MolName | 6-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine |
| MolecularFormula | C19H12N5O3Br |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2nc(-c3ccccc3)c(cc(cc3)Br)c3n2)o1)=O |
| InChI | InChI=1S/C19H12BrN5O3/c20-13-6-8-16-15(10-13)18(12-4-2-1-3-5-12)23-19(22-16)24-21-11-14-7-9-17(28-14)25(26)27/h1-11H,(H,22,23,24) |
| InChIK | AMFHUDPQIPHXIT-UHFFFAOYSA-N |
| TotalMolweight | 438.24 |
| Molweight | 438.24 |
| MonoisotopicMass | 437.012351 |
| CLogP | 6.058 |
| CLogS | -7.196 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 293.11 |
| Relative PSA | 0.30514 |
| PolarSurfaceArea | 109.13 |
| Druglikeness | -0.80729 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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