N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-[(2-phenylacetyl)amino]benzamide
Formula:C26H19N4O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-[(2-phenylacetyl)amino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-[(2-phenylacetyl)amino]benzamide |
| MolecularFormula | C26H19N4O5Cl |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N\NC(c(cccc3)c3NC(Cc3ccccc3)=O)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C26H19ClN4O5/c27-22-12-10-18(31(34)35)15-21(22)24-13-11-19(36-24)16-28-30-26(33)20-8-4-5-9-23(20)29-25(32)14-17-6-2-1-3-7-17/h1-13,15-16H,14H2,(H,29,32)(H,30,33) |
| InChIK | MYQMAGQQYYNAMG-UHFFFAOYSA-N |
| TotalMolweight | 502.913 |
| Molweight | 502.913 |
| MonoisotopicMass | 502.104398 |
| CLogP | 4.9705 |
| CLogS | -7.854 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 378.26 |
| Relative PSA | 0.27769 |
| PolarSurfaceArea | 129.52 |
| Druglikeness | 1.9437 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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