(NE)-N-(2,3-dihydrophenalen-1-ylidene)hydroxylamine
Formula:C13H11NO
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NE)-N-(2,3-dihydrophenalen-1-ylidene)hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-(2,3-dihydrophenalen-1-ylidene)hydroxylamine |
| MolecularFormula | C13H11NO |
| Smiles | O/N=C(\CC1)/c2cccc3cccc1c23 |
| InChI | InChI=1S/C13H11NO/c15-14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-6,15H,7-8H2 |
| InChIK | SISYPSBCTFXOQQ-UHFFFAOYSA-N |
| TotalMolweight | 197.236 |
| Molweight | 197.236 |
| MonoisotopicMass | 197.084064 |
| CLogP | 3.7394 |
| CLogS | -4.6 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 151.2 |
| Relative PSA | 0.16276 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -2.2112 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - (NE)-N-(2,3-dihydrophenalen-1-ylidene)hydroxylamine | 2 - (NE)-N-(2,3-dihydrophenalen-1-ylidene)hydroxylamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off