1-(4-bromophenyl)-3-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]urea
Formula:C19H13N4O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-(4-bromophenyl)-3-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]urea is a drug-like molecule.
| MolName | 1-(4-bromophenyl)-3-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]urea |
| MolecularFormula | C19H13N4O2Br |
| Smiles | N#Cc(cc1)ccc1-c1ccc(/C=N\NC(Nc(cc2)ccc2Br)=O)o1 |
| InChI | InChI=1S/C19H13BrN4O2/c20-15-5-7-16(8-6-15)23-19(25)24-22-12-17-9-10-18(26-17)14-3-1-13(11-21)2-4-14/h1-10,12H,(H2,23,24,25) |
| InChIK | XIWWNGRHZHSYOE-UHFFFAOYSA-N |
| TotalMolweight | 409.242 |
| Molweight | 409.242 |
| MonoisotopicMass | 408.022187 |
| CLogP | 4.6952 |
| CLogS | -7.304 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 288.24 |
| Relative PSA | 0.26069 |
| PolarSurfaceArea | 90.42 |
| Druglikeness | -0.125 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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