(NZ)-N-(2-amino-3-chloro-7-nitrofluoren-9-ylidene)hydroxylamine
Formula:C13H8N3O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NZ)-N-(2-amino-3-chloro-7-nitrofluoren-9-ylidene)hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-(2-amino-3-chloro-7-nitrofluoren-9-ylidene)hydroxylamine |
| MolecularFormula | C13H8N3O3Cl |
| Smiles | Nc(cc(c(-c(cc1)c2cc1[N+]([O-])=O)c1)/C2=N\O)c1Cl |
| InChI | InChI=1S/C13H8ClN3O3/c14-11-4-8-7-2-1-6(17(19)20)3-9(7)13(16-18)10(8)5-12(11)15/h1-5,18H,15H2 |
| InChIK | JYFVXBCULVAJRA-UHFFFAOYSA-N |
| TotalMolweight | 289.678 |
| Molweight | 289.678 |
| MonoisotopicMass | 289.025419 |
| CLogP | 2.8044 |
| CLogS | -6.363 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 196.45 |
| Relative PSA | 0.35785 |
| PolarSurfaceArea | 104.43 |
| Druglikeness | -6.4215 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (NZ)-N-(2-amino-3-chloro-7-nitrofluoren-9-ylidene)hydroxylamine | 2 - (NZ)-N-(2-amino-3-chloro-7-nitrofluoren-9-ylidene)hydroxylamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off