N-[(Z)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide
Formula:C21H14N3O4Br2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide |
| MolecularFormula | C21H14N3O4Br2Cl |
| Smiles | [O-][N+](c1cccc(C(N/N=C\c(cc2Br)cc(Br)c2OCc(cccc2)c2Cl)=O)c1)=O |
| InChI | InChI=1S/C21H14Br2ClN3O4/c22-17-8-13(9-18(23)20(17)31-12-15-4-1-2-7-19(15)24)11-25-26-21(28)14-5-3-6-16(10-14)27(29)30/h1-11H,12H2,(H,26,28) |
| InChIK | KMSABOVNNFEXHV-UHFFFAOYSA-N |
| TotalMolweight | 567.62 |
| Molweight | 567.62 |
| MonoisotopicMass | 564.903956 |
| CLogP | 5.6845 |
| CLogS | -7.926 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 346.86 |
| Relative PSA | 0.22035 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.8622 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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