[3-[(Z)-[[2-(4-bromo-2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
Formula:C23H15N3O4BrF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[2-(4-bromo-2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate is a drug-like molecule.
| MolName | [3-[(Z)-[[2-(4-bromo-2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate |
| MolecularFormula | C23H15N3O4BrF |
| Smiles | N#Cc(cc(cc1)Br)c1OCC(N/N=C\c1cc(OC(c2cc(F)ccc2)=O)ccc1)=O |
| InChI | InChI=1S/C23H15BrFN3O4/c24-18-7-8-21(17(10-18)12-26)31-14-22(29)28-27-13-15-3-1-6-20(9-15)32-23(30)16-4-2-5-19(25)11-16/h1-11,13H,14H2,(H,28,29) |
| InChIK | NWUDFUQEROSSRQ-UHFFFAOYSA-N |
| TotalMolweight | 496.291 |
| Molweight | 496.291 |
| MonoisotopicMass | 495.022996 |
| CLogP | 4.8686 |
| CLogS | -6.892 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 344.95 |
| Relative PSA | 0.23948 |
| PolarSurfaceArea | 100.78 |
| Druglikeness | -3.4411 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| 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 | 3 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[[2-(4-bromo-2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate | 2 - [3-[(Z)-[[2-(4-bromo-2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
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