(NZ)-N-[2,3-dihydroindol-1-yl-(3-nitrophenyl)methylidene]hydroxylamine
Formula:C15H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[2,3-dihydroindol-1-yl-(3-nitrophenyl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[2,3-dihydroindol-1-yl-(3-nitrophenyl)methylidene]hydroxylamine |
| MolecularFormula | C15H13N3O3 |
| Smiles | [O-][N+](c1cc(/C(/N(CC2)c3c2cccc3)=N/O)ccc1)=O |
| InChI | InChI=1S/C15H13N3O3/c19-16-15(12-5-3-6-13(10-12)18(20)21)17-9-8-11-4-1-2-7-14(11)17/h1-7,10,19H,8-9H2 |
| InChIK | JNRXZOHMEPZNBZ-UHFFFAOYSA-N |
| TotalMolweight | 283.286 |
| Molweight | 283.286 |
| MonoisotopicMass | 283.095692 |
| CLogP | 2.8937 |
| CLogS | -4.288 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 210.33 |
| Relative PSA | 0.27851 |
| PolarSurfaceArea | 81.65 |
| Druglikeness | -3.4001 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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