N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-phenylacetamide
Formula:C17H15N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-phenylacetamide |
| MolecularFormula | C17H15N2OBr |
| Smiles | O=C(Cc1ccccc1)N/N=C\C=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C17H15BrN2O/c18-16-10-8-14(9-11-16)7-4-12-19-20-17(21)13-15-5-2-1-3-6-15/h1-12H,13H2,(H,20,21) |
| InChIK | KCBHUDKXLFJGOO-UHFFFAOYSA-N |
| TotalMolweight | 343.223 |
| Molweight | 343.223 |
| MonoisotopicMass | 342.036774 |
| CLogP | 3.9432 |
| CLogS | -4.812 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 245.88 |
| Relative PSA | 0.14645 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.609 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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