5-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]-2-nitrophenolate
Formula:C14H9N3O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]-2-nitrophenolate is a drug-like molecule.
| MolName | 5-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]-2-nitrophenolate |
| MolecularFormula | C14H9N3O4F |
| Smiles | [O-]c(cc(/C=N\NC(c1cccc(F)c1)=O)cc1)c1[N+]([O-])=O |
| InChI | InChI=1S/C14H10FN3O4/c15-11-3-1-2-10(7-11)14(20)17-16-8-9-4-5-12(18(21)22)13(19)6-9/h1-8,19H,(H,17,20)/p-1 |
| InChIK | MKQMSRGMISYKEE-UHFFFAOYSA-M |
| TotalMolweight | 302.24 |
| Molweight | 302.24 |
| MonoisotopicMass | 302.05771 |
| CLogP | 0.4571 |
| CLogS | -4.199 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 224.54 |
| Relative PSA | 0.35945 |
| PolarSurfaceArea | 110.34 |
| Druglikeness | -2.1202 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 - 5-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]-2-nitrophenolate | 2 - 5-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]-2-nitrophenolate
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