N-[(E)-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]amino]-4-bromobenzamide
Formula:C21H14N3O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]amino]-4-bromobenzamide is a drug-like molecule.
| MolName | N-[(E)-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]amino]-4-bromobenzamide |
| MolecularFormula | C21H14N3O3Br |
| Smiles | N/C(/C1=Cc(c2ccccc2cc2)c2OC1=O)=N/NC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C21H14BrN3O3/c22-14-8-5-13(6-9-14)20(26)25-24-19(23)17-11-16-15-4-2-1-3-12(15)7-10-18(16)28-21(17)27/h1-11H,(H2,23,24)(H,25,26) |
| InChIK | VZNFWSQPWBIWOS-UHFFFAOYSA-N |
| TotalMolweight | 436.264 |
| Molweight | 436.264 |
| MonoisotopicMass | 435.021853 |
| CLogP | 3.7918 |
| CLogS | -6.266 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 285.91 |
| Relative PSA | 0.25994 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 2.0172 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]amino]-4-bromobenzamide | 2 - N-[(E)-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]amino]-4-bromobenzamide
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