2-[2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-1-morpholin-4-ylethanone
Formula:C19H19N4O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-1-morpholin-4-ylethanone is a drug-like molecule.
| MolName | 2-[2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-1-morpholin-4-ylethanone |
| MolecularFormula | C19H19N4O5Br |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c(cc1)cc(Br)c1OCC(N1CCOCC1)=O)=O |
| InChI | InChI=1S/C19H19BrN4O5/c20-17-11-14(12-21-22-15-2-4-16(5-3-15)24(26)27)1-6-18(17)29-13-19(25)23-7-9-28-10-8-23/h1-6,11-12,22H,7-10,13H2 |
| InChIK | QEPZTNXYRJGADU-UHFFFAOYSA-N |
| TotalMolweight | 463.287 |
| Molweight | 463.287 |
| MonoisotopicMass | 462.053882 |
| CLogP | 3.8937 |
| CLogS | -3.933 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 314.89 |
| Relative PSA | 0.28575 |
| PolarSurfaceArea | 108.98 |
| 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 | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-1-morpholin-4-ylethanone | 2 - 2-[2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-1-morpholin-4-ylethanone
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