[(Z)-(4-oxobenzo[h]chromen-3-yl)methylideneamino]urea
Formula:C15H11N3O3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
[(Z)-(4-oxobenzo[h]chromen-3-yl)methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-(4-oxobenzo[h]chromen-3-yl)methylideneamino]urea |
| MolecularFormula | C15H11N3O3 |
| Smiles | NC(N/N=C\C1=COc(c2ccccc2cc2)c2C1=O)=O |
| InChI | InChI=1S/C15H11N3O3/c16-15(20)18-17-7-10-8-21-14-11-4-2-1-3-9(11)5-6-12(14)13(10)19/h1-8H,(H3,16,18,20) |
| InChIK | DTMWYPWYINNNKH-UHFFFAOYSA-N |
| TotalMolweight | 281.27 |
| Molweight | 281.27 |
| MonoisotopicMass | 281.080042 |
| CLogP | 1.4471 |
| CLogS | -4.97 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 209.31 |
| Relative PSA | 0.35507 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 4.8609 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(4-oxobenzo[h]chromen-3-yl)methylideneamino]urea | 2 - [(Z)-(4-oxobenzo[h]chromen-3-yl)methylideneamino]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off