4-bromo-N-[(Z)-2H-chromen-3-ylmethylideneamino]benzamide
Formula:C17H13N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-2H-chromen-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-2H-chromen-3-ylmethylideneamino]benzamide |
| MolecularFormula | C17H13N2O2Br |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\C1=Cc(cccc2)c2OC1 |
| InChI | InChI=1S/C17H13BrN2O2/c18-15-7-5-13(6-8-15)17(21)20-19-10-12-9-14-3-1-2-4-16(14)22-11-12/h1-10H,11H2,(H,20,21) |
| InChIK | UVFWUBMXSRDGEZ-UHFFFAOYSA-N |
| TotalMolweight | 357.206 |
| Molweight | 357.206 |
| MonoisotopicMass | 356.016039 |
| CLogP | 3.6987 |
| CLogS | -4.835 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.59 |
| Relative PSA | 0.19124 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.6441 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 4-bromo-N-[(Z)-2H-chromen-3-ylmethylideneamino]benzamide | 2 - 4-bromo-N-[(Z)-2H-chromen-3-ylmethylideneamino]benzamide
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