[(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylideneamino]urea
Formula:C12H9N3O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylideneamino]urea |
| MolecularFormula | C12H9N3O2Cl2 |
| Smiles | NC(N/N=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)=O |
| InChI | InChI=1S/C12H9Cl2N3O2/c13-8-3-7(4-9(14)5-8)11-2-1-10(19-11)6-16-17-12(15)18/h1-6H,(H3,15,17,18) |
| InChIK | UXVSBTKBPGKUND-UHFFFAOYSA-N |
| TotalMolweight | 298.128 |
| Molweight | 298.128 |
| MonoisotopicMass | 297.007181 |
| CLogP | 3.2862 |
| CLogS | -5.746 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 216.04 |
| Relative PSA | 0.30268 |
| PolarSurfaceArea | 80.62 |
| Druglikeness | 6.3882 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylideneamino]urea | 2 - [(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylideneamino]urea
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