(4E)-4-benzylidene-2-phenyl-3H-quinazoline
Formula:C21H16N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-benzylidene-2-phenyl-3H-quinazoline is a drug-like molecule.
| MolName | (4E)-4-benzylidene-2-phenyl-3H-quinazoline |
| MolecularFormula | C21H16N2 |
| Smiles | C(c1ccccc1)=C1/NC(c2ccccc2)=Nc2c1cccc2 |
| InChI | InChI=1S/C21H16N2/c1-3-9-16(10-4-1)15-20-18-13-7-8-14-19(18)22-21(23-20)17-11-5-2-6-12-17/h1-15H,(H,22,23) |
| InChIK | YQOJVBWQOMLWKV-UHFFFAOYSA-N |
| TotalMolweight | 296.372 |
| Molweight | 296.372 |
| MonoisotopicMass | 296.131348 |
| CLogP | 4.6338 |
| CLogS | -4.861 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 238.42 |
| Relative PSA | 0.096343 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 0.70017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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