N-[2-[(2Z)-2-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
Formula:C27H21N3O3BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[2-[(2Z)-2-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]-3-chlorobenzamide is not a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]-3-chlorobenzamide |
| MolecularFormula | C27H21N3O3BrCl |
| Smiles | O=C(CNC(c1cc(Cl)ccc1)=O)N/N=C\c(c1ccccc1cc1)c1OCc1cccc(Br)c1 |
| InChI | InChI=1S/C27H21BrClN3O3/c28-21-8-3-5-18(13-21)17-35-25-12-11-19-6-1-2-10-23(19)24(25)15-31-32-26(33)16-30-27(34)20-7-4-9-22(29)14-20/h1-15H,16-17H2,(H,30,34)(H,32,33) |
| InChIK | HFCFUYWDUBGBLL-UHFFFAOYSA-N |
| TotalMolweight | 550.839 |
| Molweight | 550.839 |
| MonoisotopicMass | 549.04548 |
| CLogP | 6.159 |
| CLogS | -8.005 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 382.13 |
| Relative PSA | 0.18452 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.2744 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]-3-chlorobenzamide | 2 - N-[2-[(2Z)-2-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
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