N-[(Z)-benzylideneamino]-2-(2-fluorophenyl)quinazolin-4-amine
Formula:C21H15N4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-(2-fluorophenyl)quinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-(2-fluorophenyl)quinazolin-4-amine |
| MolecularFormula | C21H15N4F |
| Smiles | Fc(cccc1)c1-c1nc2ccccc2c(N/N=C\c2ccccc2)n1 |
| InChI | InChI=1S/C21H15FN4/c22-18-12-6-4-10-16(18)20-24-19-13-7-5-11-17(19)21(25-20)26-23-14-15-8-2-1-3-9-15/h1-14H,(H,24,25,26) |
| InChIK | FJUMNVFTKOJRDO-UHFFFAOYSA-N |
| TotalMolweight | 342.376 |
| Molweight | 342.376 |
| MonoisotopicMass | 342.128074 |
| CLogP | 6.6898 |
| CLogS | -6.63 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 267.47 |
| Relative PSA | 0.16791 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 1.0825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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