N-[(Z)-benzylideneamino]-2-(3,4-dichlorophenyl)quinazolin-4-amine
Formula:C21H14N4Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-(3,4-dichlorophenyl)quinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-(3,4-dichlorophenyl)quinazolin-4-amine |
| MolecularFormula | C21H14N4Cl2 |
| Smiles | Clc(ccc(-c1nc2ccccc2c(N/N=C\c2ccccc2)n1)c1)c1Cl |
| InChI | InChI=1S/C21H14Cl2N4/c22-17-11-10-15(12-18(17)23)20-25-19-9-5-4-8-16(19)21(26-20)27-24-13-14-6-2-1-3-7-14/h1-13H,(H,25,26,27) |
| InChIK | FXRJUDQBLLGHHL-UHFFFAOYSA-N |
| TotalMolweight | 393.276 |
| Molweight | 393.276 |
| MonoisotopicMass | 392.05955 |
| CLogP | 7.801 |
| CLogS | -7.788 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 291.96 |
| Relative PSA | 0.15382 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | high |
| 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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