3-hydroxy-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinazolin-4-one
Formula:C14H11N5O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-hydroxy-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinazolin-4-one |
| MolecularFormula | C14H11N5O2 |
| Smiles | ON1C(N/N=C\c2cnccc2)=Nc(cccc2)c2C1=O |
| InChI | InChI=1S/C14H11N5O2/c20-13-11-5-1-2-6-12(11)17-14(19(13)21)18-16-9-10-4-3-7-15-8-10/h1-9,21H,(H,17,18) |
| InChIK | ARXQSRAWRHVBOL-UHFFFAOYSA-N |
| TotalMolweight | 281.274 |
| Molweight | 281.274 |
| MonoisotopicMass | 281.091275 |
| CLogP | 0.9296 |
| CLogS | -3.297 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 211.87 |
| Relative PSA | 0.35465 |
| PolarSurfaceArea | 90.18 |
| Druglikeness | 3.6437 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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