1-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-phenylurea
Formula:C18H14N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-phenylurea is a drug-like molecule.
| MolName | 1-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-phenylurea |
| MolecularFormula | C18H14N3O2Br |
| Smiles | O=C(Nc1ccccc1)N/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
| InChI | InChI=1S/C18H14BrN3O2/c19-14-8-6-13(7-9-14)17-11-10-16(24-17)12-20-22-18(23)21-15-4-2-1-3-5-15/h1-12H,(H2,21,22,23) |
| InChIK | YOTQKDCVJLREIR-UHFFFAOYSA-N |
| TotalMolweight | 384.232 |
| Molweight | 384.232 |
| MonoisotopicMass | 383.026938 |
| CLogP | 4.8596 |
| CLogS | -6.531 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 266.53 |
| Relative PSA | 0.23104 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | 4.155 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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