[4-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Formula:C23H17N3O4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C23H17N3O4ClF |
| Smiles | O=C(CNC(c1cc(F)ccc1)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C23H17ClFN3O4/c24-20-7-2-1-6-19(20)23(31)32-18-10-8-15(9-11-18)13-27-28-21(29)14-26-22(30)16-4-3-5-17(25)12-16/h1-13H,14H2,(H,26,30)(H,28,29) |
| InChIK | XVRRUIMFAOLWEU-UHFFFAOYSA-N |
| TotalMolweight | 453.856 |
| Molweight | 453.856 |
| MonoisotopicMass | 453.089162 |
| CLogP | 4.4226 |
| CLogS | -6.008 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 339.24 |
| Relative PSA | 0.24629 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.7616 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [4-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
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