N-[(Z)-[4-(2-cyano-4-nitrophenoxy)phenyl]methylideneamino]naphthalene-1-carboxamide
Formula:C25H16N4O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-(2-cyano-4-nitrophenoxy)phenyl]methylideneamino]naphthalene-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-cyano-4-nitrophenoxy)phenyl]methylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C25H16N4O4 |
| Smiles | N#Cc(cc(cc1)[N+]([O-])=O)c1Oc1ccc(/C=N\NC(c2cccc3ccccc23)=O)cc1 |
| InChI | InChI=1S/C25H16N4O4/c26-15-19-14-20(29(31)32)10-13-24(19)33-21-11-8-17(9-12-21)16-27-28-25(30)23-7-3-5-18-4-1-2-6-22(18)23/h1-14,16H,(H,28,30) |
| InChIK | PHHBNGMJPZGBBE-UHFFFAOYSA-N |
| TotalMolweight | 436.426 |
| Molweight | 436.426 |
| MonoisotopicMass | 436.117156 |
| CLogP | 4.7056 |
| CLogS | -8.857 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 336.73 |
| Relative PSA | 0.26725 |
| PolarSurfaceArea | 120.3 |
| Druglikeness | -5.1395 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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