N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
Formula:C27H20N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide |
| MolecularFormula | C27H20N3O4Cl |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1ccc(COc(cccc2)c2-c2ccccc2)cc1)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C27H20ClN3O4/c28-24-15-12-20(16-25(24)31(33)34)17-29-30-27(32)22-13-10-19(11-14-22)18-35-26-9-5-4-8-23(26)21-6-2-1-3-7-21/h1-17H,18H2,(H,30,32) |
| InChIK | SBBLZRISOTYXRT-UHFFFAOYSA-N |
| TotalMolweight | 485.926 |
| Molweight | 485.926 |
| MonoisotopicMass | 485.114234 |
| CLogP | 5.8933 |
| CLogS | -8.344 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 369.36 |
| Relative PSA | 0.20693 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -1.0722 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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