N-[(Z)-(4-nitrophenyl)methylideneamino]-3,4,5-tris(phenylmethoxy)benzamide
Formula:C35H29N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-3,4,5-tris(phenylmethoxy)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-3,4,5-tris(phenylmethoxy)benzamide |
| MolecularFormula | C35H29N3O6 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c(cc2OCc3ccccc3)cc(OCc3ccccc3)c2OCc2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C35H29N3O6/c39-35(37-36-22-26-16-18-31(19-17-26)38(40)41)30-20-32(42-23-27-10-4-1-5-11-27)34(44-25-29-14-8-3-9-15-29)33(21-30)43-24-28-12-6-2-7-13-28/h1-22H,23-25H2,(H,37,39) |
| InChIK | XHOYOVHHGMNVKK-UHFFFAOYSA-N |
| TotalMolweight | 587.63 |
| Molweight | 587.63 |
| MonoisotopicMass | 587.205637 |
| CLogP | 6.3243 |
| CLogS | -8.204 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 461.22 |
| Relative PSA | 0.20908 |
| PolarSurfaceArea | 114.97 |
| Druglikeness | -1.1157 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 44 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 13 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 7 |
| Symmetricatoms | 16 |
| AcidicOxygens | 1 |
| StereoCon |
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