2-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]-4,6-dinitrophenolate
Formula:C14H8N4O6F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]-4,6-dinitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]-4,6-dinitrophenolate |
| MolecularFormula | C14H8N4O6F |
| Smiles | [O-]c(c([N+]([O-])=O)c1)c(/C=N\NC(c2cccc(F)c2)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C14H9FN4O6/c15-10-3-1-2-8(4-10)14(21)17-16-7-9-5-11(18(22)23)6-12(13(9)20)19(24)25/h1-7,20H,(H,17,21)/p-1 |
| InChIK | IKKJFHVPZBZYMK-UHFFFAOYSA-M |
| TotalMolweight | 347.238 |
| Molweight | 347.238 |
| MonoisotopicMass | 347.042789 |
| CLogP | -0.4645 |
| CLogS | -4.659 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 248.21 |
| Relative PSA | 0.44773 |
| PolarSurfaceArea | 156.16 |
| Druglikeness | -2.1202 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]-4,6-dinitrophenolate | 2 - 2-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]-4,6-dinitrophenolate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off