4-chloro-2-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-6-nitrophenolate
Formula:C14H8N3O4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-2-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-6-nitrophenolate is a drug-like molecule.
| MolName | 4-chloro-2-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-6-nitrophenolate |
| MolecularFormula | C14H8N3O4ClF |
| Smiles | [O-]c(c(/C=N\NC(c(cccc1)c1F)=O)cc(Cl)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C14H9ClFN3O4/c15-9-5-8(13(20)12(6-9)19(22)23)7-17-18-14(21)10-3-1-2-4-11(10)16/h1-7,20H,(H,18,21)/p-1 |
| InChIK | ZEIPPXNLDDTONN-UHFFFAOYSA-M |
| TotalMolweight | 336.686 |
| Molweight | 336.686 |
| MonoisotopicMass | 336.018737 |
| CLogP | 1.0631 |
| CLogS | -4.935 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 239.96 |
| Relative PSA | 0.33635 |
| PolarSurfaceArea | 110.34 |
| Druglikeness | -2.0935 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-chloro-2-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-6-nitrophenolate | 2 - 4-chloro-2-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-6-nitrophenolate
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