[(2Z,4E)-2-hydroxy-5-(3-nitroanilino)penta-2,4-dienylidene]-(3-nitrophenyl)azanium
Formula:C17H15N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(2Z,4E)-2-hydroxy-5-(3-nitroanilino)penta-2,4-dienylidene]-(3-nitrophenyl)azanium is a drug-like molecule.
| MolName | [(2Z,4E)-2-hydroxy-5-(3-nitroanilino)penta-2,4-dienylidene]-(3-nitrophenyl)azanium |
| MolecularFormula | C17H15N4O5 |
| Smiles | [O-][N+](c1cccc(N/C=C/C=C(/C=[NH+]/c2cccc([N+]([O-])=O)c2)\O)c1)=O |
| InChI | InChI=1S/C17H14N4O5/c22-17(12-19-14-5-2-7-16(11-14)21(25)26)8-3-9-18-13-4-1-6-15(10-13)20(23)24/h1-12,18,22H/p+1 |
| InChIK | FPYBJAXQBRWSQZ-UHFFFAOYSA-O |
| TotalMolweight | 355.329 |
| Molweight | 355.329 |
| MonoisotopicMass | 355.104246 |
| CLogP | 1.03 |
| CLogS | -4.559 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 262.63 |
| Relative PSA | 0.32517 |
| PolarSurfaceArea | 137.87 |
| Druglikeness | -5.1948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(2Z,4E)-2-hydroxy-5-(3-nitroanilino)penta-2,4-dienylidene]-(3-nitrophenyl)azanium | 2 - [(2Z,4E)-2-hydroxy-5-(3-nitroanilino)penta-2,4-dienylidene]-(3-nitrophenyl)azanium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off