(3Z)-3-(benzoylhydrazinylidene)benzo[f]chromene-2-carboxamide
Formula:C21H15N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(3Z)-3-(benzoylhydrazinylidene)benzo[f]chromene-2-carboxamide is a drug-like molecule.
| MolName | (3Z)-3-(benzoylhydrazinylidene)benzo[f]chromene-2-carboxamide |
| MolecularFormula | C21H15N3O3 |
| Smiles | NC(C1=Cc(c2ccccc2cc2)c2O/C1=N\NC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C21H15N3O3/c22-19(25)17-12-16-15-9-5-4-6-13(15)10-11-18(16)27-21(17)24-23-20(26)14-7-2-1-3-8-14/h1-12H,(H2,22,25)(H,23,26) |
| InChIK | INHMEOGDACAECR-UHFFFAOYSA-N |
| TotalMolweight | 357.368 |
| Molweight | 357.368 |
| MonoisotopicMass | 357.111342 |
| CLogP | 3.0666 |
| CLogS | -5.432 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 267.28 |
| Relative PSA | 0.27806 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 4.7179 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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