N-[(Z)-(4-bromophenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine
Formula:C16H10N4BrCl3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine |
| MolecularFormula | C16H10N4BrCl3 |
| Smiles | ClC(c1nc2ccccc2c(N/N=C\c(cc2)ccc2Br)n1)(Cl)Cl |
| InChI | InChI=1S/C16H10BrCl3N4/c17-11-7-5-10(6-8-11)9-21-24-14-12-3-1-2-4-13(12)22-15(23-14)16(18,19)20/h1-9H,(H,22,23,24) |
| InChIK | ATOFONXFMDYVIO-UHFFFAOYSA-N |
| TotalMolweight | 444.546 |
| Molweight | 444.546 |
| MonoisotopicMass | 441.915438 |
| CLogP | 7.2571 |
| CLogS | -7.048 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 276.66 |
| Relative PSA | 0.16233 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -0.11469 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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