4-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
Formula:C21H17N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C21H17N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(cc1)ccc1OCc1ccccc1)=O)=O |
| InChI | InChI=1S/C21H17N3O4/c25-21(18-8-10-19(11-9-18)24(26)27)23-22-14-16-6-12-20(13-7-16)28-15-17-4-2-1-3-5-17/h1-14H,15H2,(H,23,25) |
| InChIK | GEODUPVUTQDVIO-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 | 0.71429 |
| 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 | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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