3-hydroxy-2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one
Formula:C15H12N4O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-hydroxy-2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one |
| MolecularFormula | C15H12N4O3 |
| Smiles | Oc1cccc(/C=N\NC(N2O)=Nc(cccc3)c3C2=O)c1 |
| InChI | InChI=1S/C15H12N4O3/c20-11-5-3-4-10(8-11)9-16-18-15-17-13-7-2-1-6-12(13)14(21)19(15)22/h1-9,20,22H,(H,17,18) |
| InChIK | QFYWGPYGKSXAMT-UHFFFAOYSA-N |
| TotalMolweight | 296.285 |
| Molweight | 296.285 |
| MonoisotopicMass | 296.090941 |
| CLogP | 1.5848 |
| CLogS | -3.796 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 219.46 |
| Relative PSA | 0.35209 |
| PolarSurfaceArea | 97.52 |
| Druglikeness | 3.6255 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-hydroxy-2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one | 2 - 3-hydroxy-2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off