N-[(E)-[(E)-3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]-2-phenylacetamide
Formula:C23H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[(E)-3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(E)-[(E)-3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]-2-phenylacetamide |
| MolecularFormula | C23H19N3O3 |
| Smiles | [O-][N+](c1cc(/C=C/C(/c2ccccc2)=N\NC(Cc2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C23H19N3O3/c27-23(17-18-8-3-1-4-9-18)25-24-22(20-11-5-2-6-12-20)15-14-19-10-7-13-21(16-19)26(28)29/h1-16H,17H2,(H,25,27) |
| InChIK | UPIJKMLJAGMJRX-UHFFFAOYSA-N |
| TotalMolweight | 385.422 |
| Molweight | 385.422 |
| MonoisotopicMass | 385.142642 |
| CLogP | 3.989 |
| CLogS | -6.046 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 308.89 |
| Relative PSA | 0.21506 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -1.7223 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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