N-[(Z)-naphthalen-1-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
Formula:C24H24N4O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide |
| MolecularFormula | C24H24N4O3 |
| Smiles | [O-][N+](c1ccc(CN(CC2)CCC2C(N/N=C\c2cccc3ccccc23)=O)cc1)=O |
| InChI | InChI=1S/C24H24N4O3/c29-24(26-25-16-21-6-3-5-19-4-1-2-7-23(19)21)20-12-14-27(15-13-20)17-18-8-10-22(11-9-18)28(30)31/h1-11,16,20H,12-15,17H2,(H,26,29) |
| InChIK | VDFRKVXKEJKVOB-UHFFFAOYSA-N |
| TotalMolweight | 416.48 |
| Molweight | 416.48 |
| MonoisotopicMass | 416.184841 |
| CLogP | 2.8117 |
| CLogS | -5.879 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 323.36 |
| Relative PSA | 0.21642 |
| PolarSurfaceArea | 90.52 |
| Druglikeness | 4.1575 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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