N-[(Z)-naphthalen-2-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
Formula:C24H24N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-naphthalen-2-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-2-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide |
| MolecularFormula | C24H24N4O3 |
| Smiles | [O-][N+](c1ccc(CN(CC2)CCC2C(N/N=C\c2cc3ccccc3cc2)=O)cc1)=O |
| InChI | InChI=1S/C24H24N4O3/c29-24(26-25-16-19-5-8-20-3-1-2-4-22(20)15-19)21-11-13-27(14-12-21)17-18-6-9-23(10-7-18)28(30)31/h1-10,15-16,21H,11-14,17H2,(H,26,29) |
| InChIK | NENUGWULFOTEJN-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 | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| 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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