1-(4-bromophenyl)-3-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea
Formula:C18H15N4OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
1-(4-bromophenyl)-3-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea is a drug-like molecule.
| MolName | 1-(4-bromophenyl)-3-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea |
| MolecularFormula | C18H15N4OBr |
| Smiles | O=C(Nc(cc1)ccc1Br)N/N=C\c1cccn1-c1ccccc1 |
| InChI | InChI=1S/C18H15BrN4O/c19-14-8-10-15(11-9-14)21-18(24)22-20-13-17-7-4-12-23(17)16-5-2-1-3-6-16/h1-13H,(H2,21,22,24) |
| InChIK | XOORXMTZNQLIHB-UHFFFAOYSA-N |
| TotalMolweight | 383.248 |
| Molweight | 383.248 |
| MonoisotopicMass | 382.042922 |
| CLogP | 4.1596 |
| CLogS | -7.408 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 266.04 |
| Relative PSA | 0.20425 |
| PolarSurfaceArea | 58.42 |
| Druglikeness | 3.2886 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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