N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide
Formula:C15H12N3OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide |
| MolecularFormula | C15H12N3OBr |
| Smiles | O=C(c1ccncc1)N/N=C\C=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C15H12BrN3O/c16-14-5-3-12(4-6-14)2-1-9-18-19-15(20)13-7-10-17-11-8-13/h1-11H,(H,19,20) |
| InChIK | CCDNSPIMWOCICH-UHFFFAOYSA-N |
| TotalMolweight | 330.184 |
| Molweight | 330.184 |
| MonoisotopicMass | 329.016373 |
| CLogP | 2.9442 |
| CLogS | -4.052 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 230.88 |
| Relative PSA | 0.20348 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 2.6581 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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