2-[(Z)-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]hydrazinylidene]methyl]-6-nitrophenolate
Formula:C23H17N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]hydrazinylidene]methyl]-6-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]hydrazinylidene]methyl]-6-nitrophenolate |
| MolecularFormula | C23H17N4O5 |
| Smiles | [O-]c(c(/C=N\NC(/C(/NC(c1ccccc1)=O)=C/c1ccccc1)=O)ccc1)c1[N+]([O-])=O |
| InChI | InChI=1S/C23H18N4O5/c28-21-18(12-7-13-20(21)27(31)32)15-24-26-23(30)19(14-16-8-3-1-4-9-16)25-22(29)17-10-5-2-6-11-17/h1-15,28H,(H,25,29)(H,26,30)/p-1 |
| InChIK | WSCADKIISKLEFG-UHFFFAOYSA-M |
| TotalMolweight | 429.411 |
| Molweight | 429.411 |
| MonoisotopicMass | 429.119896 |
| CLogP | 1.973 |
| CLogS | -5.63 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 331.87 |
| Relative PSA | 0.31702 |
| PolarSurfaceArea | 139.44 |
| Druglikeness | 1.2924 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]hydrazinylidene]methyl]-6-nitrophenolate | 2 - 2-[(Z)-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]hydrazinylidene]methyl]-6-nitrophenolate
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