(9E)-9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-4-carboxylic acid
Formula:C20H12N4O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(9E)-9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-4-carboxylic acid is a drug-like molecule.
| MolName | (9E)-9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-4-carboxylic acid |
| MolecularFormula | C20H12N4O6 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\c1c-2cccc1)/c1c2c(C(O)=O)ccc1)=O |
| InChI | InChI=1S/C20H12N4O6/c25-20(26)15-7-3-6-14-18(15)12-4-1-2-5-13(12)19(14)22-21-16-9-8-11(23(27)28)10-17(16)24(29)30/h1-10,21H,(H,25,26) |
| InChIK | QHLBJLZMJWFUSH-UHFFFAOYSA-N |
| TotalMolweight | 404.337 |
| Molweight | 404.337 |
| MonoisotopicMass | 404.075686 |
| CLogP | 4.0658 |
| CLogS | -6.858 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 285.15 |
| Relative PSA | 0.38559 |
| PolarSurfaceArea | 153.33 |
| Druglikeness | -4.1435 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| AcidicOxygens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (9E)-9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-4-carboxylic acid | 2 - (9E)-9-[(2,4-dinitrophenyl)hydrazinylidene]fluorene-4-carboxylic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off