[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]urea
Formula:C15H13N3O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]urea |
| MolecularFormula | C15H13N3O2Br2 |
| Smiles | NC(N/N=C\c(cc1Br)cc(Br)c1OCc1ccccc1)=O |
| InChI | InChI=1S/C15H13Br2N3O2/c16-12-6-11(8-19-20-15(18)21)7-13(17)14(12)22-9-10-4-2-1-3-5-10/h1-8H,9H2,(H3,18,20,21) |
| InChIK | ZHXWZNDALQEHOE-UHFFFAOYSA-N |
| TotalMolweight | 427.095 |
| Molweight | 427.095 |
| MonoisotopicMass | 424.937449 |
| CLogP | 3.9338 |
| CLogS | -5.823 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 256.53 |
| Relative PSA | 0.23888 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 2.1006 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]urea | 2 - [(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]urea
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