N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-nitrobenzamide
Formula:C25H17N3O4Br2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-nitrobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-nitrobenzamide |
| MolecularFormula | C25H17N3O4Br2 |
| Smiles | [O-][N+](c1cccc(C(N/N=C\c(cc2Br)cc(Br)c2OCc2cccc3ccccc23)=O)c1)=O |
| InChI | InChI=1S/C25H17Br2N3O4/c26-22-11-16(14-28-29-25(31)18-7-4-9-20(13-18)30(32)33)12-23(27)24(22)34-15-19-8-3-6-17-5-1-2-10-21(17)19/h1-14H,15H2,(H,29,31) |
| InChIK | CSFKCIJQOWMFSD-UHFFFAOYSA-N |
| TotalMolweight | 583.235 |
| Molweight | 583.235 |
| MonoisotopicMass | 580.958579 |
| CLogP | 6.2729 |
| CLogS | -8.796 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 366.04 |
| Relative PSA | 0.2088 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.9057 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-nitrobenzamide | 2 - N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-nitrobenzamide
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