N-[6-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
Formula:C20H22N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[6-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide is a drug-like molecule.
| MolName | N-[6-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide |
| MolecularFormula | C20H22N3O2Br |
| Smiles | O=C(CCCCCNC(c1ccccc1)=O)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C20H22BrN3O2/c21-18-12-10-16(11-13-18)15-23-24-19(25)9-5-2-6-14-22-20(26)17-7-3-1-4-8-17/h1,3-4,7-8,10-13,15H,2,5-6,9,14H2,(H,22,26)(H,24,25) |
| InChIK | IFLSSAAVGHUQGU-UHFFFAOYSA-N |
| TotalMolweight | 416.318 |
| Molweight | 416.318 |
| MonoisotopicMass | 415.089538 |
| CLogP | 4.8281 |
| CLogS | -5.402 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 303.63 |
| Relative PSA | 0.19929 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -6.2355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[6-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide | 2 - N-[6-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
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