N-[2-[(2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide
Formula:C20H15N3O3BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[2-[(2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide |
| MolecularFormula | C20H15N3O3BrCl |
| Smiles | O=C(CNC(c(cc1)ccc1Cl)=O)N/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
| InChI | InChI=1S/C20H15BrClN3O3/c21-15-5-1-13(2-6-15)18-10-9-17(28-18)11-24-25-19(26)12-23-20(27)14-3-7-16(22)8-4-14/h1-11H,12H2,(H,23,27)(H,25,26) |
| InChIK | JARIIPIVZHVEFN-UHFFFAOYSA-N |
| TotalMolweight | 460.714 |
| Molweight | 460.714 |
| MonoisotopicMass | 458.99853 |
| CLogP | 4.5554 |
| CLogS | -6.518 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 313.46 |
| Relative PSA | 0.23805 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 5.5634 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide | 2 - N-[2-[(2Z)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide
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