4-chloro-2-[(Z)-[(2-cyanoacetyl)hydrazinylidene]methyl]-6-nitrophenolate
Formula:C10H6N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-2-[(Z)-[(2-cyanoacetyl)hydrazinylidene]methyl]-6-nitrophenolate is a drug-like molecule.
| MolName | 4-chloro-2-[(Z)-[(2-cyanoacetyl)hydrazinylidene]methyl]-6-nitrophenolate |
| MolecularFormula | C10H6N4O4Cl |
| Smiles | N#CCC(N/N=C\c1cc(Cl)cc([N+]([O-])=O)c1[O-])=O |
| InChI | InChI=1S/C10H7ClN4O4/c11-7-3-6(5-13-14-9(16)1-2-12)10(17)8(4-7)15(18)19/h3-5,17H,1H2,(H,14,16)/p-1 |
| InChIK | HOFHTCHLVPZERJ-UHFFFAOYSA-M |
| TotalMolweight | 281.635 |
| Molweight | 281.635 |
| MonoisotopicMass | 281.007758 |
| CLogP | -0.7815 |
| CLogS | -3.869 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 209.32 |
| Relative PSA | 0.45036 |
| PolarSurfaceArea | 134.13 |
| Druglikeness | -8.008 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-chloro-2-[(Z)-[(2-cyanoacetyl)hydrazinylidene]methyl]-6-nitrophenolate | 2 - 4-chloro-2-[(Z)-[(2-cyanoacetyl)hydrazinylidene]methyl]-6-nitrophenolate
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