4-hydroxy-N-[(E)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide
Formula:C22H17N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-N-[(E)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 4-hydroxy-N-[(E)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino]benzamide |
| MolecularFormula | C22H17N3O4 |
| Smiles | [O-][N+](c1c(/C=C/C(/c2ccccc2)=N\NC(c(cc2)ccc2O)=O)cccc1)=O |
| InChI | InChI=1S/C22H17N3O4/c26-19-13-10-18(11-14-19)22(27)24-23-20(16-6-2-1-3-7-16)15-12-17-8-4-5-9-21(17)25(28)29/h1-15,26H,(H,24,27) |
| InChIK | ZIPFFLXIKANDJL-UHFFFAOYSA-N |
| TotalMolweight | 387.394 |
| Molweight | 387.394 |
| MonoisotopicMass | 387.121907 |
| CLogP | 3.6452 |
| CLogS | -5.785 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 301.48 |
| Relative PSA | 0.2638 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -1.7609 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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