N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-amine
Formula:C17H14N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-amine |
| MolecularFormula | C17H14N4 |
| Smiles | C(/C=N\Nc1ncnc2ccccc12)=C/c1ccccc1 |
| InChI | InChI=1S/C17H14N4/c1-2-7-14(8-3-1)9-6-12-20-21-17-15-10-4-5-11-16(15)18-13-19-17/h1-13H,(H,18,19,21) |
| InChIK | PEUVRKKQMRURAM-UHFFFAOYSA-N |
| TotalMolweight | 274.326 |
| Molweight | 274.326 |
| MonoisotopicMass | 274.121846 |
| CLogP | 4.9643 |
| CLogS | -4.463 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 227.86 |
| Relative PSA | 0.19709 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.2952 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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