[3-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
Formula:C25H17N2O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate |
| MolecularFormula | C25H17N2O4F |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c1cccc(OC(c2cccc(F)c2)=O)c1)=O |
| InChI | InChI=1S/C25H17FN2O4/c26-20-9-4-8-19(12-20)25(31)32-21-10-3-5-16(11-21)15-27-28-24(30)22-13-17-6-1-2-7-18(17)14-23(22)29/h1-15,29H,(H,28,30) |
| InChIK | ABJXXYGMSAUZFJ-UHFFFAOYSA-N |
| TotalMolweight | 428.418 |
| Molweight | 428.418 |
| MonoisotopicMass | 428.117236 |
| CLogP | 5.5816 |
| CLogS | -6.815 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 321.8 |
| Relative PSA | 0.22421 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 2.6578 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate | 2 - [3-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
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