[4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Formula:C23H16N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate |
| MolecularFormula | C23H16N3O4Br |
| Smiles | N#Cc(cccc1)c1OCC(N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O)=O |
| InChI | InChI=1S/C23H16BrN3O4/c24-20-7-3-2-6-19(20)23(29)31-18-11-9-16(10-12-18)14-26-27-22(28)15-30-21-8-4-1-5-17(21)13-25/h1-12,14H,15H2,(H,27,28) |
| InChIK | RNWBJTAYGXKBBT-UHFFFAOYSA-N |
| TotalMolweight | 478.301 |
| Molweight | 478.301 |
| MonoisotopicMass | 477.032418 |
| CLogP | 4.7678 |
| CLogS | -6.578 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 338.6 |
| Relative PSA | 0.24398 |
| PolarSurfaceArea | 100.78 |
| Druglikeness | -2.1011 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate | 2 - [4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
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