N-(4-bromophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]butanediamide
Formula:C16H15N4O2Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]butanediamide is a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]butanediamide |
| MolecularFormula | C16H15N4O2Br |
| Smiles | O=C(CCC(N/N=C\c1cnccc1)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C16H15BrN4O2/c17-13-3-5-14(6-4-13)20-15(22)7-8-16(23)21-19-11-12-2-1-9-18-10-12/h1-6,9-11H,7-8H2,(H,20,22)(H,21,23) |
| InChIK | DPBYIDJYSSSNQN-UHFFFAOYSA-N |
| TotalMolweight | 375.225 |
| Molweight | 375.225 |
| MonoisotopicMass | 374.037837 |
| CLogP | 2.777 |
| CLogS | -4.104 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 261.11 |
| Relative PSA | 0.27375 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 1.795 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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