N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-phenylpropanamide
Formula:C20H17N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-phenylpropanamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-phenylpropanamide |
| MolecularFormula | C20H17N2O2Br |
| Smiles | O=C(CCc1ccccc1)N/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
| InChI | InChI=1S/C20H17BrN2O2/c21-17-9-7-16(8-10-17)19-12-11-18(25-19)14-22-23-20(24)13-6-15-4-2-1-3-5-15/h1-5,7-12,14H,6,13H2,(H,23,24) |
| InChIK | QMIIUKPHJIRENG-UHFFFAOYSA-N |
| TotalMolweight | 397.271 |
| Molweight | 397.271 |
| MonoisotopicMass | 396.047339 |
| CLogP | 5.3182 |
| CLogS | -6.25 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 282.59 |
| Relative PSA | 0.17736 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 3.5367 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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