3-[(Z)-piperidin-1-ylmethylideneamino]quinazolin-4-one
Formula:C14H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-piperidin-1-ylmethylideneamino]quinazolin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-piperidin-1-ylmethylideneamino]quinazolin-4-one |
| MolecularFormula | C14H16N4O |
| Smiles | O=C(c(cccc1)c1N=C1)N1/N=C\N1CCCCC1 |
| InChI | InChI=1S/C14H16N4O/c19-14-12-6-2-3-7-13(12)15-10-18(14)16-11-17-8-4-1-5-9-17/h2-3,6-7,10-11H,1,4-5,8-9H2 |
| InChIK | NVVPFDPUQZLVHP-UHFFFAOYSA-N |
| TotalMolweight | 256.308 |
| Molweight | 256.308 |
| MonoisotopicMass | 256.132411 |
| CLogP | 1.5624 |
| CLogS | -3.073 |
| H Acceptors | 5 |
| TotalSurfaceArea | 202.93 |
| Relative PSA | 0.21268 |
| PolarSurfaceArea | 48.27 |
| Druglikeness | 3.2065 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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