2-(3-bromophenoxy)-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide
Formula:C15H12N3O5Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(3-bromophenoxy)-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(3-bromophenoxy)-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide |
| MolecularFormula | C15H12N3O5Br |
| Smiles | [O-][N+](c1ccc(/C=C/C=N\NC(COc2cccc(Br)c2)=O)o1)=O |
| InChI | InChI=1S/C15H12BrN3O5/c16-11-3-1-4-13(9-11)23-10-14(20)18-17-8-2-5-12-6-7-15(24-12)19(21)22/h1-9H,10H2,(H,18,20) |
| InChIK | KISLOFWXAXWELM-UHFFFAOYSA-N |
| TotalMolweight | 394.18 |
| Molweight | 394.18 |
| MonoisotopicMass | 392.996033 |
| CLogP | 2.1385 |
| CLogS | -5.294 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 269.24 |
| Relative PSA | 0.33628 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | -0.70504 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(3-bromophenoxy)-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide | 2 - 2-(3-bromophenoxy)-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide
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