2-[(Z)-(carbamoylhydrazinylidene)methyl]-4-chloro-6-nitrophenolate
Formula:C8H6N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(carbamoylhydrazinylidene)methyl]-4-chloro-6-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-(carbamoylhydrazinylidene)methyl]-4-chloro-6-nitrophenolate |
| MolecularFormula | C8H6N4O4Cl |
| Smiles | NC(N/N=C\c1cc(Cl)cc([N+]([O-])=O)c1[O-])=O |
| InChI | InChI=1S/C8H7ClN4O4/c9-5-1-4(3-11-12-8(10)15)7(14)6(2-5)13(16)17/h1-3,14H,(H3,10,12,15)/p-1 |
| InChIK | IOAFCJABEUFVMD-UHFFFAOYSA-M |
| TotalMolweight | 257.613 |
| Molweight | 257.613 |
| MonoisotopicMass | 257.007758 |
| CLogP | -1.104 |
| CLogS | -3.714 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 182.37 |
| Relative PSA | 0.52629 |
| PolarSurfaceArea | 136.36 |
| Druglikeness | -0.88427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-(carbamoylhydrazinylidene)methyl]-4-chloro-6-nitrophenolate | 2 - 2-[(Z)-(carbamoylhydrazinylidene)methyl]-4-chloro-6-nitrophenolate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off