(2Z)-2-hydrazinylidene-3-nitro-3-(7-nitro-3,4-dihydroquinoxalin-2-yl)-N-(4-nitrophenyl)propanamide
Formula:C17H14N8O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-hydrazinylidene-3-nitro-3-(7-nitro-3,4-dihydroquinoxalin-2-yl)-N-(4-nitrophenyl)propanamide is not a drug-like molecule.
| MolName | (2Z)-2-hydrazinylidene-3-nitro-3-(7-nitro-3,4-dihydroquinoxalin-2-yl)-N-(4-nitrophenyl)propanamide |
| MolecularFormula | C17H14N8O7 |
| Smiles | N/N=C(/C(C1=Nc(cc(cc2)[N+]([O-])=O)c2NC1)[N+]([O-])=O)\C(Nc(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C17H14N8O7/c18-22-15(17(26)20-9-1-3-10(4-2-9)23(27)28)16(25(31)32)14-8-19-12-6-5-11(24(29)30)7-13(12)21-14/h1-7,16,19H,8,18H2,(H,20,26)/t16-/m1/s1 |
| InChIK | OKYDGPDUSKMDPZ-MRXNPFEDSA-N |
| TotalMolweight | 442.347 |
| Molweight | 442.347 |
| MonoisotopicMass | 442.098547 |
| CLogP | -2.2262 |
| CLogS | -4.597 |
| H Acceptors | 15 |
| H Donors | 3 |
| TotalSurfaceArea | 311.92 |
| Relative PSA | 0.53062 |
| PolarSurfaceArea | 229.33 |
| Druglikeness | -2.6691 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-hydrazinylidene-3-nitro-3-(7-nitro-3,4-dihydroquinoxalin-2-yl)-N-(4-nitrophenyl)propanamide | 2 - (2Z)-2-hydrazinylidene-3-nitro-3-(7-nitro-3,4-dihydroquinoxalin-2-yl)-N-(4-nitrophenyl)propanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off