(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]acetic acid
Formula:C8H6N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]acetic acid is a drug-like molecule.
| MolName | (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]acetic acid |
| MolecularFormula | C8H6N4O6 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\C(O)=O)=O |
| InChI | InChI=1S/C8H6N4O6/c13-8(14)4-9-10-6-2-1-5(11(15)16)3-7(6)12(17)18/h1-4,10H,(H,13,14) |
| InChIK | BUIUGEKEJZNTPU-UHFFFAOYSA-N |
| TotalMolweight | 254.158 |
| Molweight | 254.158 |
| MonoisotopicMass | 254.028736 |
| CLogP | -0.0333 |
| CLogS | -2.296 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 180.92 |
| Relative PSA | 0.60773 |
| PolarSurfaceArea | 153.33 |
| Druglikeness | -3.3153 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| AcidicOxygens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]acetic acid | 2 - (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]acetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off