2-(naphthalen-1-ylamino)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C23H18N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(naphthalen-1-ylamino)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(naphthalen-1-ylamino)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C23H18N4O4 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\NC(CNc3cccc4ccccc34)=O)o2)ccc1)=O |
| InChI | InChI=1S/C23H18N4O4/c28-23(15-24-21-10-4-6-16-5-1-2-9-20(16)21)26-25-14-19-11-12-22(31-19)17-7-3-8-18(13-17)27(29)30/h1-14,24H,15H2,(H,26,28) |
| InChIK | JLRPYXQWETZYEH-UHFFFAOYSA-N |
| TotalMolweight | 414.42 |
| Molweight | 414.42 |
| MonoisotopicMass | 414.132806 |
| CLogP | 3.7052 |
| CLogS | -7.069 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 319.93 |
| Relative PSA | 0.28756 |
| PolarSurfaceArea | 112.45 |
| Druglikeness | 1.9524 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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