(NE)-N-(2,4,7-trinitrofluoren-9-ylidene)hydroxylamine
Formula:C13H6N4O7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NE)-N-(2,4,7-trinitrofluoren-9-ylidene)hydroxylamine is not a drug-like molecule.
| MolName | (NE)-N-(2,4,7-trinitrofluoren-9-ylidene)hydroxylamine |
| MolecularFormula | C13H6N4O7 |
| Smiles | [O-][N+](c(cc1)cc(/C(/c2cc([N+]([O-])=O)c3)=N\O)c1-c2c3[N+]([O-])=O)=O |
| InChI | InChI=1S/C13H6N4O7/c18-14-13-9-3-6(15(19)20)1-2-8(9)12-10(13)4-7(16(21)22)5-11(12)17(23)24/h1-5,18H |
| InChIK | CPGLUGPWOUGEJN-UHFFFAOYSA-N |
| TotalMolweight | 330.212 |
| Molweight | 330.212 |
| MonoisotopicMass | 330.023651 |
| CLogP | 1.0325 |
| CLogS | -6.471 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 219.85 |
| Relative PSA | 0.52704 |
| PolarSurfaceArea | 170.05 |
| Druglikeness | -6.6235 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (NE)-N-(2,4,7-trinitrofluoren-9-ylidene)hydroxylamine | 2 - (NE)-N-(2,4,7-trinitrofluoren-9-ylidene)hydroxylamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off