2-bromo-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]benzamide
Formula:C16H12N2OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 2-bromo-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]benzamide |
| MolecularFormula | C16H12N2OBrCl |
| Smiles | O=C(c(cccc1)c1Br)N/N=C\C(\Cl)=C\c1ccccc1 |
| InChI | InChI=1S/C16H12BrClN2O/c17-15-9-5-4-8-14(15)16(21)20-19-11-13(18)10-12-6-2-1-3-7-12/h1-11H,(H,20,21) |
| InChIK | KZSHGSZOATVUPN-UHFFFAOYSA-N |
| TotalMolweight | 363.641 |
| Molweight | 363.641 |
| MonoisotopicMass | 361.982151 |
| CLogP | 4.4067 |
| CLogS | -5.538 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 245.75 |
| Relative PSA | 0.14653 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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