(NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-(3-nitrophenyl)methylidene]hydroxylamine
Formula:C16H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-(3-nitrophenyl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-(3-nitrophenyl)methylidene]hydroxylamine |
| MolecularFormula | C16H15N3O3 |
| Smiles | [O-][N+](c1cc(/C(/N(CCC2)c3c2cccc3)=N/O)ccc1)=O |
| InChI | InChI=1S/C16H15N3O3/c20-17-16(13-6-3-8-14(11-13)19(21)22)18-10-4-7-12-5-1-2-9-15(12)18/h1-3,5-6,8-9,11,20H,4,7,10H2 |
| InChIK | ZRXDJAPYGMXDPU-UHFFFAOYSA-N |
| TotalMolweight | 297.313 |
| Molweight | 297.313 |
| MonoisotopicMass | 297.111342 |
| CLogP | 3.2357 |
| CLogS | -4.558 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 224.09 |
| Relative PSA | 0.26141 |
| PolarSurfaceArea | 81.65 |
| Druglikeness | -4.2272 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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