N-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide
Formula:C21H17N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide |
| MolecularFormula | C21H17N3O4 |
| Smiles | [O-][N+](c1cc(/C=N\NC(c(cc2)ccc2OCc2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C21H17N3O4/c25-21(23-22-14-17-7-4-8-19(13-17)24(26)27)18-9-11-20(12-10-18)28-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,23,25) |
| InChIK | ATZFSZYGAOYZSB-UHFFFAOYSA-N |
| TotalMolweight | 375.383 |
| Molweight | 375.383 |
| MonoisotopicMass | 375.121907 |
| CLogP | 3.6281 |
| CLogS | -5.522 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 294.18 |
| Relative PSA | 0.25981 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -1.1157 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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