N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-chlorobenzamide
Formula:C22H15N3O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-chlorobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-chlorobenzamide |
| MolecularFormula | C22H15N3O2BrCl |
| Smiles | N#Cc1c(COc(ccc(/C=N\NC(c2cc(Cl)ccc2)=O)c2)c2Br)cccc1 |
| InChI | InChI=1S/C22H15BrClN3O2/c23-20-10-15(13-26-27-22(28)16-6-3-7-19(24)11-16)8-9-21(20)29-14-18-5-2-1-4-17(18)12-25/h1-11,13H,14H2,(H,27,28) |
| InChIK | ZNKIHAZTCPYRME-UHFFFAOYSA-N |
| TotalMolweight | 468.737 |
| Molweight | 468.737 |
| MonoisotopicMass | 467.003615 |
| CLogP | 5.7165 |
| CLogS | -7.405 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 326.27 |
| Relative PSA | 0.18258 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -2.0186 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| 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 | 2 |
| StereoCon |
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1 - N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-chlorobenzamide | 2 - N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-chlorobenzamide
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