4-nitro-N-[(Z)-3-phenylpropylideneamino]benzamide
Formula:C16H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N-[(Z)-3-phenylpropylideneamino]benzamide is a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-3-phenylpropylideneamino]benzamide |
| MolecularFormula | C16H15N3O3 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\CCc1ccccc1)=O)=O |
| InChI | InChI=1S/C16H15N3O3/c20-16(14-8-10-15(11-9-14)19(21)22)18-17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-12H,4,7H2,(H,18,20) |
| InChIK | DRCQQHGUXDBMGR-UHFFFAOYSA-N |
| TotalMolweight | 297.313 |
| Molweight | 297.313 |
| MonoisotopicMass | 297.111342 |
| CLogP | 2.4216 |
| CLogS | -4.338 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 238.18 |
| Relative PSA | 0.27891 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -1.9241 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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