N-[(Z)-benzylideneamino]-3-iminobenzo[f]chromene-2-carboxamide
Formula:C21H15N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-iminobenzo[f]chromene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-iminobenzo[f]chromene-2-carboxamide |
| MolecularFormula | C21H15N3O2 |
| Smiles | N=C(C(C(N/N=C\c1ccccc1)=O)=C1)Oc2c1c1ccccc1cc2 |
| InChI | InChI=1S/C21H15N3O2/c22-20-18(21(25)24-23-13-14-6-2-1-3-7-14)12-17-16-9-5-4-8-15(16)10-11-19(17)26-20/h1-13,22H,(H,24,25) |
| InChIK | IBQBQSVLTJBLQY-UHFFFAOYSA-N |
| TotalMolweight | 341.369 |
| Molweight | 341.369 |
| MonoisotopicMass | 341.116427 |
| CLogP | 3.5136 |
| CLogS | -4.847 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 263.11 |
| Relative PSA | 0.23416 |
| PolarSurfaceArea | 74.54 |
| Druglikeness | 3.7151 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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