N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(naphthalen-2-ylamino)acetamide
Formula:C25H19N5O6
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(naphthalen-2-ylamino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(naphthalen-2-ylamino)acetamide |
| MolecularFormula | C25H19N5O6 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1cc(/C=N\NC(CNc2cc3ccccc3cc2)=O)ccc1)=O |
| InChI | InChI=1S/C25H19N5O6/c31-25(16-26-20-9-8-18-5-1-2-6-19(18)13-20)28-27-15-17-4-3-7-22(12-17)36-24-11-10-21(29(32)33)14-23(24)30(34)35/h1-15,26H,16H2,(H,28,31) |
| InChIK | YYEYEQLFEIUJSY-UHFFFAOYSA-N |
| TotalMolweight | 485.455 |
| Molweight | 485.455 |
| MonoisotopicMass | 485.133535 |
| CLogP | 3.2403 |
| CLogS | -8.366 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 363.91 |
| Relative PSA | 0.32511 |
| PolarSurfaceArea | 154.36 |
| Druglikeness | -0.20877 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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