2-[2-bromo-4-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenoxy]-1-morpholin-4-ylethanone
Formula:C18H18N5O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-bromo-4-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenoxy]-1-morpholin-4-ylethanone is a drug-like molecule.
| MolName | 2-[2-bromo-4-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenoxy]-1-morpholin-4-ylethanone |
| MolecularFormula | C18H18N5O5Br |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c(cc1)cc(Br)c1OCC(N1CCOCC1)=O)=O |
| InChI | InChI=1S/C18H18BrN5O5/c19-15-9-13(10-21-22-17-4-2-14(11-20-17)24(26)27)1-3-16(15)29-12-18(25)23-5-7-28-8-6-23/h1-4,9-11H,5-8,12H2,(H,20,22) |
| InChIK | FYMOSMVLBDUUBI-UHFFFAOYSA-N |
| TotalMolweight | 464.275 |
| Molweight | 464.275 |
| MonoisotopicMass | 463.049131 |
| CLogP | 3.2442 |
| CLogS | -3.663 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 313.65 |
| Relative PSA | 0.32186 |
| PolarSurfaceArea | 121.87 |
| Druglikeness | -2.0881 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-bromo-4-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenoxy]-1-morpholin-4-ylethanone | 2 - 2-[2-bromo-4-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenoxy]-1-morpholin-4-ylethanone
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