[(Z)-[(4-bromophenyl)-phenylmethylidene]amino]urea
Formula:C14H12N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[(4-bromophenyl)-phenylmethylidene]amino]urea is a drug-like molecule.
| MolName | [(Z)-[(4-bromophenyl)-phenylmethylidene]amino]urea |
| MolecularFormula | C14H12N3OBr |
| Smiles | NC(N/N=C(/c1ccccc1)\c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C14H12BrN3O/c15-12-8-6-11(7-9-12)13(17-18-14(16)19)10-4-2-1-3-5-10/h1-9H,(H3,16,18,19) |
| InChIK | PDYFQZOBZORBLN-UHFFFAOYSA-N |
| TotalMolweight | 318.173 |
| Molweight | 318.173 |
| MonoisotopicMass | 317.016373 |
| CLogP | 3.0572 |
| CLogS | -5.424 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 212.35 |
| Relative PSA | 0.24149 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 1.3934 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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