4-chloro-3-[(Z)-(phenylhydrazinylidene)methyl]chromen-2-one
Formula:C16H11N2O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-chloro-3-[(Z)-(phenylhydrazinylidene)methyl]chromen-2-one is a drug-like molecule.
| MolName | 4-chloro-3-[(Z)-(phenylhydrazinylidene)methyl]chromen-2-one |
| MolecularFormula | C16H11N2O2Cl |
| Smiles | O=C1Oc(cccc2)c2C(Cl)=C1/C=N\Nc1ccccc1 |
| InChI | InChI=1S/C16H11ClN2O2/c17-15-12-8-4-5-9-14(12)21-16(20)13(15)10-18-19-11-6-2-1-3-7-11/h1-10,19H |
| InChIK | PBPYMPHFZHQRDP-UHFFFAOYSA-N |
| TotalMolweight | 298.728 |
| Molweight | 298.728 |
| MonoisotopicMass | 298.050905 |
| CLogP | 4.6537 |
| CLogS | -2.56 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 221.83 |
| Relative PSA | 0.20741 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.6632 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; allyl/benzyl chloride; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-chloro-3-[(Z)-(phenylhydrazinylidene)methyl]chromen-2-one | 2 - 4-chloro-3-[(Z)-(phenylhydrazinylidene)methyl]chromen-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off