N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide
Formula:C18H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide |
| MolecularFormula | C18H17N3O3 |
| Smiles | [O-][N+](c1ccc(CC(N/N=C(/CCC2)\c3c2cccc3)=O)cc1)=O |
| InChI | InChI=1S/C18H17N3O3/c22-18(12-13-8-10-15(11-9-13)21(23)24)20-19-17-7-3-5-14-4-1-2-6-16(14)17/h1-2,4,6,8-11H,3,5,7,12H2,(H,20,22) |
| InChIK | WBYIGLJQTYLLEX-UHFFFAOYSA-N |
| TotalMolweight | 323.351 |
| Molweight | 323.351 |
| MonoisotopicMass | 323.126992 |
| CLogP | 2.9508 |
| CLogS | -5.095 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 250.41 |
| Relative PSA | 0.26528 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -4.5517 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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