N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]quinazolin-4-amine
Formula:C15H11N5O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]quinazolin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]quinazolin-4-amine |
| MolecularFormula | C15H11N5O3 |
| Smiles | [O-][N+](c1ccc(/C=C/C=N\Nc2ncnc3ccccc23)o1)=O |
| InChI | InChI=1S/C15H11N5O3/c21-20(22)14-8-7-11(23-14)4-3-9-18-19-15-12-5-1-2-6-13(12)16-10-17-15/h1-10H,(H,16,17,19) |
| InChIK | FSPJFNJHCUAHCU-UHFFFAOYSA-N |
| TotalMolweight | 309.284 |
| Molweight | 309.284 |
| MonoisotopicMass | 309.08619 |
| CLogP | 3.5828 |
| CLogS | -5.13 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 241.22 |
| Relative PSA | 0.37078 |
| PolarSurfaceArea | 109.13 |
| Druglikeness | -0.85867 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]quinazolin-4-amine | 2 - N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]quinazolin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off