N-[(Z)-(3-bromophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
Formula:C15H12N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide |
| MolecularFormula | C15H12N3O4Br |
| Smiles | [O-][N+](c(cc1)ccc1OCC(N/N=C\c1cccc(Br)c1)=O)=O |
| InChI | InChI=1S/C15H12BrN3O4/c16-12-3-1-2-11(8-12)9-17-18-15(20)10-23-14-6-4-13(5-7-14)19(21)22/h1-9H,10H2,(H,18,20) |
| InChIK | USICWDVGUDXXCZ-UHFFFAOYSA-N |
| TotalMolweight | 378.181 |
| Molweight | 378.181 |
| MonoisotopicMass | 377.001118 |
| CLogP | 2.5801 |
| CLogS | -4.795 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 253.05 |
| Relative PSA | 0.30204 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.7224 |
| 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 | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(3-bromophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide | 2 - N-[(Z)-(3-bromophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
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