[4-[(Z)-[(4-cyanobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Formula:C22H14N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(4-cyanobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(4-cyanobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate |
| MolecularFormula | C22H14N3O3Br |
| Smiles | N#Cc(cc1)ccc1C(N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O)=O |
| InChI | InChI=1S/C22H14BrN3O3/c23-20-4-2-1-3-19(20)22(28)29-18-11-7-16(8-12-18)14-25-26-21(27)17-9-5-15(13-24)6-10-17/h1-12,14H,(H,26,27) |
| InChIK | BLNYBXOVKCPLAJ-UHFFFAOYSA-N |
| TotalMolweight | 448.275 |
| Molweight | 448.275 |
| MonoisotopicMass | 447.021853 |
| CLogP | 5.1929 |
| CLogS | -6.798 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 314.84 |
| Relative PSA | 0.23063 |
| PolarSurfaceArea | 91.55 |
| Druglikeness | -2.0724 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[(4-cyanobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate | 2 - [4-[(Z)-[(4-cyanobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
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