(6E)-2,4-dichloro-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
Formula:C13H9NO2Cl2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(6E)-2,4-dichloro-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one is a drug-like molecule.
| MolName | (6E)-2,4-dichloro-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one |
| MolecularFormula | C13H9NO2Cl2 |
| Smiles | ON(/C=C(\C=C(C=C1Cl)Cl)/C1=O)c1ccccc1 |
| InChI | InChI=1S/C13H9Cl2NO2/c14-10-6-9(13(17)12(15)7-10)8-16(18)11-4-2-1-3-5-11/h1-8,18H |
| InChIK | VSWIZAHANIWMHU-UHFFFAOYSA-N |
| TotalMolweight | 282.125 |
| Molweight | 282.125 |
| MonoisotopicMass | 281.001033 |
| CLogP | 2.2251 |
| CLogS | -3.554 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 199.13 |
| Relative PSA | 0.1491 |
| PolarSurfaceArea | 40.54 |
| Druglikeness | 0.11478 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride; 2-halo-enone |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (6E)-2,4-dichloro-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one | 2 - (6E)-2,4-dichloro-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off