5-bromo-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
Formula:C15H11N4O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide |
| MolecularFormula | C15H11N4O3Br |
| Smiles | [O-][N+](c1ccc(/C=C/C=N\NC(c2cc(Br)cnc2)=O)cc1)=O |
| InChI | InChI=1S/C15H11BrN4O3/c16-13-8-12(9-17-10-13)15(21)19-18-7-1-2-11-3-5-14(6-4-11)20(22)23/h1-10H,(H,19,21) |
| InChIK | DJIHEWPDLRCBJY-UHFFFAOYSA-N |
| TotalMolweight | 375.181 |
| Molweight | 375.181 |
| MonoisotopicMass | 374.001452 |
| CLogP | 2.0226 |
| CLogS | -4.512 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 254.55 |
| Relative PSA | 0.30407 |
| PolarSurfaceArea | 100.17 |
| Druglikeness | -2.5095 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 5-bromo-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide | 2 - 5-bromo-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
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