3-[(Z)-hydroxyiminomethyl]benzo[h]chromen-4-one
Formula:C14H9NO3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
3-[(Z)-hydroxyiminomethyl]benzo[h]chromen-4-one is a drug-like molecule.
| MolName | 3-[(Z)-hydroxyiminomethyl]benzo[h]chromen-4-one |
| MolecularFormula | C14H9NO3 |
| Smiles | O/N=C\C1=COc(c2ccccc2cc2)c2C1=O |
| InChI | InChI=1S/C14H9NO3/c16-13-10(7-15-17)8-18-14-11-4-2-1-3-9(11)5-6-12(13)14/h1-8,17H |
| InChIK | ZTEMFWFOZWIPEE-UHFFFAOYSA-N |
| TotalMolweight | 239.229 |
| Molweight | 239.229 |
| MonoisotopicMass | 239.058244 |
| CLogP | 2.5261 |
| CLogS | -4.471 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 177.93 |
| Relative PSA | 0.2678 |
| PolarSurfaceArea | 58.89 |
| Druglikeness | 0.58805 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| StereoCon |
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