N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chlorophenyl)quinazolin-4-amine
Formula:C21H14N4BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chlorophenyl)quinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chlorophenyl)quinazolin-4-amine |
| MolecularFormula | C21H14N4BrCl |
| Smiles | Clc(cccc1)c1-c1nc2ccccc2c(N/N=C\c(cc2)ccc2Br)n1 |
| InChI | InChI=1S/C21H14BrClN4/c22-15-11-9-14(10-12-15)13-24-27-21-17-6-2-4-8-19(17)25-20(26-21)16-5-1-3-7-18(16)23/h1-13H,(H,25,26,27) |
| InChIK | KGTDCOZSANZICY-UHFFFAOYSA-N |
| TotalMolweight | 437.727 |
| Molweight | 437.727 |
| MonoisotopicMass | 436.009034 |
| CLogP | 7.9202 |
| CLogS | -7.886 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 295.17 |
| Relative PSA | 0.15215 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 0.59454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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